 Home > Encyclopedia > Tetradecanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-3-formyl-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester

Tetradecanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-3-formyl-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester

Tetradecanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-3-formyl-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester structure

CAS No:
30358-69-1
Formula:
C36H54O8
Chemical Name:
Tetradecanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-3-formyl-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester
Synonyms:
Tetradecanoic acid,(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-3-formyl-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester;Myristic acid,9-ester with 1aα,1bβ,4,4a,5,7aα,7b,8,9,9a-decahydro-4aβ,7bα,9β,9aα-tetrahydroxy-1,1,6,8α-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulene-3-carboxaldehyde 9a-acetate;Tetradecanoic acid,9a-(acetyloxy)-3-formyl-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester,[1aR-(1aα,1bβ,4aβ,7aα,7bα,8α,9β,9aα)]-;1H-Cyclopropa[3,4]benz[1,2-e]azulene,tetradecanoic acid deriv.;12-O-Tetradecanoyl-20-deoxy-20-oxophorbol 13-acetate;20-Oxo-12-O-tetradecanoylphorbol 13-acetate;Phorbol-20-oxo-20-deoxy-12-myristate-13-acetate;20-Deoxy-20-oxophorbol 12-myristate 13-acetate;67481-34-9;73353-69-2

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Tetradecanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-3-formyl-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester Basic Attributes

Molecular Weight：

614.80900

Exact Mass：

614.81

Characteristics

PSA：

127.20000

XLogP3：

5.95950

Density：

1.17±0.1 g/cm3(Predicted)

Safety Information

Packing level：

Hazard category：

6.1(a)

Transport codes：

UN 2928

hazard class code：

R26/27/28

safety instructions：

26-27-36/37/39-45

Marks：

T+: Very toxic;

Precautionary statement(s)：

P260-P264-P280-P284-P302 + P350-P305 + P351 + P338

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.

Computed Properties

Molecular Weight:614.8
XLogP3:7.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:17
Exact Mass:614.38186868
Monoisotopic Mass:614.38186868
Topological Polar Surface Area:127
Heavy Atom Count:44
Complexity:1180
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Tetradecanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-3-formyl-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

Tetradecanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-3-formyl-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester

SDS

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