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12-Deoxyphorbol 13-phenylacetate 20-acetate

12-Deoxyphorbol 13-phenylacetate 20-acetate structure

CAS No:
54662-30-5
Formula:
C30H36O7
Chemical Name:
12-Deoxyphorbol 13-phenylacetate 20-acetate
Synonyms:
Benzeneacetic acid,(1aR,1bS,4aR,7aS,7bR,8R,9aS)-3-[(acetyloxy)methyl]-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester;Benzeneacetic acid,3-[(acetyloxy)methyl]-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester,[1aR-(1aα,1bβ,4aβ,7aα,7bα,8α,9aα)]-;9aH-Cyclopropa[3,4]benz[1,2-e]azulene,benzeneacetic acid deriv.;12-Deoxyphorbol 13-phenylacetate 20-acetate;12-Deoxy-4β-hydroxyphorbol 13-phenylacetate 20-acetate;12-Deoxyphorbol 20-acetate 13-phenylacetate;20-O-Acetyl-13-O-phenylacetyl-12-Deoxyphorbol;138921-26-3

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12-Deoxyphorbol 13-phenylacetate 20-acetate Basic Attributes

Molecular Weight：

448.51

Exact Mass：

508.60

Characteristics

PSA：

110.13000

XLogP3：

3.32370

Appearance：

colorless to light yellow

Density：

1.29g/cm3

Boiling Point：

556.46°C (rough estimate)

Flash Point：

204.3ºC

Refractive Index：

1.607

Storage Conditions：

-20°C

Safety Information

Transport codes：

UN 2811 6.1 / PGIII

wgk germany：

hazard class code：

26/27/28-36/37/38

safety instructions：

26-27-36/37/39-45

Marks：

T+

Precautionary statement(s)：

P260-P264-P280-P284-P301 + P310-P302 + P350

Hazard Statements：

H300-H310-H315-H319-H330-H335

GHS Classification：

|Danger|H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]|P260, P261, P262, P264, P270, P271, P280, P284, P301+P310, P302+P350, P302+P352, P304+P340, P305+P351+P338, P310, P312, P320, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

12-deoxyphorbol 13-phenylacetate 20-acetate

Computed Properties

Molecular Weight:508.6
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:508.24610348
Monoisotopic Mass:508.24610348
Topological Polar Surface Area:110
Heavy Atom Count:37
Complexity:1070
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 12-Deoxyphorbol 13-phenylacetate 20-acetate

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
Learn More Other Chemicals

12-Deoxyphorbol 13-phenylacetate 20-acetate

SDS

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