METHYL NEOABIETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H32O2
Molecular Weight	316.4776
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(C=C3CC[C@@H]12)=C(C)C

InChI

InChIKey=XLNYKQDSHLEWFW-UYWIDEMCSA-N

InChI=1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h13,17-18H,6-12H2,1-5H3/t17-,18+,20+,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H32O2
Molecular Weight	316.4776
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:45:36 GMT 2025` Edited by `admin` on `Mon Mar 31 21:45:36 GMT 2025`
Record UNII	0EDG0WM942
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METHYL NEOABIETATE

Common Name

English

METHYL NEOABIETATE, (+)-

Preferred Name

English

PODOCARP-8(14)-EN-15-OIC ACID, 13-ISOPROPYLIDENE-, METHYL ESTER

Common Name

English

1-PHENANTHRENECARBOXYLIC ACID, 1,2,3,4,4A,4B,5,6,7,9,10,10A-DODECAHYDRO-1,4A-DIMETHYL-7-(1-METHYLETHYLIDENE)-, METHYL ESTER, (1R-(1.ALPHA.,4A.BETA.,4B.ALPHA.,10A.ALPHA.))-

Systematic Name

English

1-PHENANTHRENECARBOXYLIC ACID, 1,2,3,4,4A,4B,5,6,7,9,10,10A-DODECAHYDRO-1,4A-DIMETHYL-7-(1-METHYLETHYLIDENE)-, METHYL ESTER, (1R,4AR,4BS,10AR)-

Systematic Name

English

Code System Code Type Description

CAS

3310-97-2

Created by admin on Mon Mar 31 21:45:36 GMT 2025 , Edited by admin on Mon Mar 31 21:45:36 GMT 2025

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PUBCHEM

13710768

Created by admin on Mon Mar 31 21:45:36 GMT 2025 , Edited by admin on Mon Mar 31 21:45:36 GMT 2025

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EPA CompTox

DTXSID40954735

Created by admin on Mon Mar 31 21:45:36 GMT 2025 , Edited by admin on Mon Mar 31 21:45:36 GMT 2025

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FDA UNII

0EDG0WM942

Created by admin on Mon Mar 31 21:45:36 GMT 2025 , Edited by admin on Mon Mar 31 21:45:36 GMT 2025

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