 Home > Encyclopedia > 1,1′-[(1aR,1bS,4aS,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-Decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulene-9,9a-diyl] didecanoate

1,1′-[(1aR,1bS,4aS,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-Decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulene-9,9a-diyl] didecanoate

1,1′-[(1aR,1bS,4aS,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-Decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulene-9,9a-diyl] didecanoate structure

CAS No:
27536-56-7
Formula:
C40H64O8
Chemical Name:
1,1′-[(1aR,1bS,4aS,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-Decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulene-9,9a-diyl] didecanoate
Synonyms:
Decanoic acid,1,1′-[(1aR,1bS,4aS,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulene-9,9a-diyl] ester;Decanoic acid,9,9a-diester with 1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-decahydro-4aα,7bα,9β,9aα-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8α-tetramethyl-5H-cyclopropa[3,4]benz[1,2-e]azulen-5-one;Decanoic acid,1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulene-9,9a-diyl ester,[1aR-(1aα,1bβ,4aα,7aα,7bα,8α,9β,9aα)]-;Decanoic acid,(1aR,1bS,4aS,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulene-9,9a-diyl ester;5H-Cyclopropa[3,4]benz[1,2-e]azulen-5-one,1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-decahydro-4aα,7bα,9β,9aα-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8α-tetramethyl-,9,9a-didecanoate;9aH-Cyclopropa[3,4]benz[1,2-e]azulene,decanoic acid deriv.;1,1′-[(1aR,1bS,4aS,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-Decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulene-9,9a-diyl] didecanoate;4α-Phorbol didecanoate;4α-Phorbol 12,13-didecanoate;4α-PDD;86159-22-0

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Description

4alpha-phorbol 12,13-didecanoate is a phorbol ester that is phorbol in which the hydroxy groups at the cyclopropane ring juction (position 13) and the adjacent carbon (position 12) have been converted to the corresponding decanoate esters. A Trpv4-specific ligand. It has a role as a TRPV4 agonist. It is a phorbol ester, a decanoate ester, a tertiary alpha-hydroxy ketone, a diester and a primary allylic alcohol.

1,1′-[(1aR,1bS,4aS,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-Decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulene-9,9a-diyl] didecanoate Basic Attributes

Molecular Weight：

672.93

Exact Mass：

672.93

Characteristics

PSA：

130

Appearance：

white solid

Water Solubility：

DMSO: soluble

Storage Conditions：

−20°C

Safety Information

Hazard category：

6.1(b)

Transport codes：

UN 2811 6.1/PG 2

wgk germany：

hazard class code：

26/27/28-40-43

safety instructions：

36/37/39-45

Marks：

T+

GHS Classification：

|Danger|H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]|P201, P202, P260, P261, P262, P264, P270, P271, P280, P281, P284, P285, P301+P310, P302+P350, P304+P340, P304+P341, P308+P313, P310, P320, P321, P322, P330, P342+P311, P361, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Substances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included. (See all compounds classified as Carcinogens.)

MeSH Entry Terms：

4 alpha-PDD

Computed Properties

Molecular Weight:672.9
XLogP3:8.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:21
Exact Mass:672.46011900
Monoisotopic Mass:672.46011900
Topological Polar Surface Area:130
Heavy Atom Count:48
Complexity:1220
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,1′-[(1aR,1bS,4aS,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-Decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulene-9,9a-diyl] didecanoate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
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1,1′-[(1aR,1bS,4aS,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-Decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulene-9,9a-diyl] didecanoate

SDS

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