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cembrene A

cembrene A structure

CAS No:
31570-39-5
Formula:
C20H32
Chemical Name:
cembrene A
Synonyms:
cembrene A;(1E,5E,9E,12R)-1,5,9-Trimethyl-12-isopropenylcyclotetradeca-1,5,9-triene;(R,1E,5E,9E)-1,5,9-Trimethyl-12-(1-methylethenyl)cyclotetradeca-1,5,9-triene;Neocembrene;(R)-cembrene A;1,5,9-Cyclotetradecatriene, 1,5,9-trimethyl-12-(1-methylethenyl)-, (1E,5E,9E,12R)-;Cembrene AQ: What is Cembrene A Q: What is the CAS Number of Cembrene A;3E-Cembrene A
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

ChEBI: A fourteen-membered macrocyclic diterpene consisting of 1,5,9-trimethyl-12-(prop-1-en-2-yl)cyclotetradecane having three endocyclic double bonds located at positions 1, 5 and 9.

(R)-cembrene A is a fourteen-membered macrocyclic diterpene consisting of 1,5,9-trimethyl-12-(prop-1-en-2-yl)cyclotetradecane having three endocyclic double bonds located at positions 1, 5 and 9. It has a role as a bacterial metabolite, a coral metabolite and an animal metabolite. It is a cycloalkatriene, a diterpene and a macrocycle. It derives from a hydride of a cembrane.

cembrene A Basic Attributes

Molecular Weight：

272.47

Exact Mass：

272.47

UNII：

2WGK4P4230

Characteristics

PSA：

XLogP3：

5.9

Density：

0.831±0.06 g/cm3(Predicted)

Boiling Point：

bp0.8 150-152°

Refractive Index：

nD30 1.5102

Drug Information

MeSH Entry Terms：

1,5,9-trimethyl-12-(1-methylethenyl)-1,5,9-cyclotetradecatriene

cembrene A Use and Manufacturing

Use Classification：

Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C20 isoprenoids (diterpenes) [PR0104]

Computed Properties

Molecular Weight:272.5
XLogP3:5.9
Rotatable Bond Count:1
Exact Mass:272.250401021
Monoisotopic Mass:272.250401021
Heavy Atom Count:20
Complexity:404
Defined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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31570-39-5

CAS No.: 31570-39-5

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