 Home > Encyclopedia > (3aR)-2,3,4,5,6,7,8,8a-Octahydro-4β,8aβ-dimethyl-α-methylene-1-oxo-1H-3a,6α-epoxyazulene-7β-aceticacid

(3aR)-2,3,4,5,6,7,8,8a-Octahydro-4β,8aβ-dimethyl-α-methylene-1-oxo-1H-3a,6α-epoxyazulene-7β-aceticacid

(3aR)-2,3,4,5,6,7,8,8a-Octahydro-4β,8aβ-dimethyl-α-methylene-1-oxo-1H-3a,6α-epoxyazulene-7β-aceticacid structure

CAS No:
6617-14-7
Formula:
C15H20O4
Chemical Name:
(3aR)-2,3,4,5,6,7,8,8a-Octahydro-4β,8aβ-dimethyl-α-methylene-1-oxo-1H-3a,6α-epoxyazulene-7β-aceticacid
Synonyms:
Ambrosic acid;ZINC95909427;MCULE-7668130081;NCGC00385910-01;NCGC00385910-01_C15H20O4_1H-3a,6-Epoxyazulene-7-acetic acid, octahydro-4,8a-dimethyl-alpha-methylene-1-oxo-, (3aR,4S,6S,7R,8aS)-

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Description

Ambrosic acid is a member of oxanes.

(3aR)-2,3,4,5,6,7,8,8a-Octahydro-4β,8aβ-dimethyl-α-methylene-1-oxo-1H-3a,6α-epoxyazulene-7β-aceticacid Basic Attributes

Molecular Weight：

264.321

Exact Mass：

264.136

Characteristics

PSA：

63.6

XLogP3：

1.5

Computed Properties

Molecular Weight:264.32
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:264.13615911
Monoisotopic Mass:264.13615911
Topological Polar Surface Area:63.6
Heavy Atom Count:19
Complexity:483
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3aR)-2,3,4,5,6,7,8,8a-Octahydro-4β,8aβ-dimethyl-α-methylene-1-oxo-1H-3a,6α-epoxyazulene-7β-aceticacid

Description
Basic Attributes
Characteristics
Computed Properties

(3aR)-2,3,4,5,6,7,8,8a-Octahydro-4β,8aβ-dimethyl-α-methylene-1-oxo-1H-3a,6α-epoxyazulene-7β-aceticacid

SDS

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