 Home > Encyclopedia > (2R,4aR,4bS,7S,10aS)-7-Ethenyl-2,3,4,4a,4b,5,6,7,10,10a-decahydro-2-hydroxy-1,1,4a,7-tetramethyl-9(1H)-phenanthrenone

(2R,4aR,4bS,7S,10aS)-7-Ethenyl-2,3,4,4a,4b,5,6,7,10,10a-decahydro-2-hydroxy-1,1,4a,7-tetramethyl-9(1H)-phenanthrenone

(2R,4aR,4bS,7S,10aS)-7-Ethenyl-2,3,4,4a,4b,5,6,7,10,10a-decahydro-2-hydroxy-1,1,4a,7-tetramethyl-9(1H)-phenanthrenone structure

CAS No:
85394-31-6
Formula:
C20H30O2
Chemical Name:
(2R,4aR,4bS,7S,10aS)-7-Ethenyl-2,3,4,4a,4b,5,6,7,10,10a-decahydro-2-hydroxy-1,1,4a,7-tetramethyl-9(1H)-phenanthrenone
Synonyms:
9(1H)-Phenanthrenone,7-ethenyl-2,3,4,4a,4b,5,6,7,10,10a-decahydro-2-hydroxy-1,1,4a,7-tetramethyl-,(2R,4aR,4bS,7S,10aS)-;9(1H)-Phenanthrenone,7-ethenyl-2,3,4,4a,4b,5,6,7,10,10a-decahydro-2-hydroxy-1,1,4a,7-tetramethyl-,[2R-(2α,4aα,4bβ,7β,10aβ)]-;(2R,4aR,4bS,7S,10aS)-7-Ethenyl-2,3,4,4a,4b,5,6,7,10,10a-decahydro-2-hydroxy-1,1,4a,7-tetramethyl-9(1H)-phenanthrenone;(+)-Oryzalexin A;Oryzalexin A
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

Oryzalexin A is a tricyclic diterpenoid that is ent-sandaracopimaradiene bearing additional hydroxy and oxo substituents at the 3alpha- and 7-positions respectively. It has a role as a plant metabolite.

(2R,4aR,4bS,7S,10aS)-7-Ethenyl-2,3,4,4a,4b,5,6,7,10,10a-decahydro-2-hydroxy-1,1,4a,7-tetramethyl-9(1H)-phenanthrenone Basic Attributes

Molecular Weight：

302.5 g/mol

Exact Mass：

302.45

UNII：

6I1EDL774J

Characteristics

PSA：

37.3 Å²

Drug Information

MeSH Entry Terms：

oryzalexin A

Computed Properties

Molecular Weight:302.5
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:302.224580195
Monoisotopic Mass:302.224580195
Topological Polar Surface Area:37.3
Heavy Atom Count:22
Complexity:544
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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(2R)-7β-Ethenyl-2,3,4,4a,4bβ,5,6,7,10,10aβ-decahydro-2α-hydroxy-1,1,4aα,7-tetramethyl-9(1H)-phenanthrenone.

CAS No.: 85394-31-6

Content: 98%

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Guide of (2R,4aR,4bS,7S,10aS)-7-Ethenyl-2,3,4,4a,4b,5,6,7,10,10a-decahydro-2-hydroxy-1,1,4a,7-tetramethyl-9(1H)-phenanthrenone

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