AMBREIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H52O
Molecular Weight	428.7333
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@@](C)(O)[C@H](CC\C=C(/C)CC[C@@H]3C(=C)CCCC3(C)C)[C@@]1(C)CCCC2(C)C

InChI

InChIKey=BIADSXOKHZFLSN-RMCJHQKMSA-N

InChI=1S/C30H52O/c1-22(15-16-24-23(2)13-10-18-27(24,3)4)12-9-14-26-29(7)20-11-19-28(5,6)25(29)17-21-30(26,8)31/h12,24-26,31H,2,9-11,13-21H2,1,3-8H3/b22-12+/t24-,25+,26-,29+,30-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H52O
Molecular Weight	428.7333
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:19:15 GMT 2023` Edited by `admin` on `Sat Dec 16 08:19:15 GMT 2023`
Record UNII	1N9JB373FJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AMBREIN

Common Name

English

2-NAPHTHALENOL, 1-((3E)-6-((1S)-2,2-DIMETHYL-6-METHYLENECYCLOHEXYL)-4-METHYL-3-HEXENYL)DECAHYDRO-2,5,5,8A-TETRAMETHYL-, (1R,2R,4AS,8AS)-

Systematic Name

English

AMBREIN [MI]

Common Name

English

AMBRA-13,18(28)-DIEN-8-OL, (E)-

Systematic Name

English

(1R,2R,4AS,8AS)-1-((3E)-6-((1S)-2,2-DIMETHYL-6-METHYLENECYCLOHEXYL)-4-METHYL-3-HEXENYL)DECAHYDRO-2,5,5,8A-TETRAMETHYL-2-NAPHTHALENOL

Systematic Name

English

(+)-AMBREIN

Common Name

English

AMBRA-13,18(28)-DIEN-8-OL

Systematic Name

English

2-NAPHTHALENOL, 1-(6-(2,2-DIMETHYL-6-METHYLENECYCLOHEXYL)-4-METHYL-3-HEXENYL)DECAHYDRO-2,5,5,8A-TETRAMETHYL-, (1R-(1.ALPHA.(E(S*)),2.BETA.,4A.BETA.,8A.ALPHA.))-

Systematic Name

English

Code System Code Type Description

MERCK INDEX

m12114