ISOBAUERENOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H50O
Molecular Weight	426.7174
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CCC3=C(CC[C@@]4(C)[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@]34C)[C@@]1(C)CC[C@H](O)C2(C)C

InChI

InChIKey=FOAKGLWNANRWRP-BYFNOGOSSA-N

InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)22-9-10-23-26(3,4)24(31)13-15-28(23,6)21(22)12-16-30(29,8)25(27)20(19)2/h19-20,23-25,31H,9-18H2,1-8H3/t19-,20+,23+,24+,25-,27-,28-,29-,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H50O
Molecular Weight	426.7174
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:57:42 UTC 2023` Edited by `admin` on `Sat Dec 16 09:57:42 UTC 2023`
Record UNII	0NF8Y3FK9J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOBAUERENOL

Common Name

English

8-BAUEREN-3-OL

Common Name

English

3-PICENOL, 1,2,3,4,4A,5,6,6B,7,8,8A,9,10,11,12,12A,12B,13,14,14B-EICOSAHYDRO-4,4,6B,8A,11,12,12B,14B-OCTAMETHYL-, (3S-(3.ALPHA.,4A.BETA.,6B.ALPHA.,8A.ALPHA.,11.BETA.,12.ALPHA.,12A.ALPHA.,12B.BETA.,14B.ALPHA.))-

Systematic Name

English

D:C-FRIEDOURS-8-EN-3.BETA.-OL

Common Name

English

(+)-ISOBAUERENOL

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID00176678

Created by admin on Sat Dec 16 09:57:43 UTC 2023 , Edited by admin on Sat Dec 16 09:57:43 UTC 2023

PRIMARY

FDA UNII

0NF8Y3FK9J

Created by admin on Sat Dec 16 09:57:43 UTC 2023 , Edited by admin on Sat Dec 16 09:57:43 UTC 2023

PRIMARY

CAS

22149-71-9

Created by admin on Sat Dec 16 09:57:43 UTC 2023 , Edited by admin on Sat Dec 16 09:57:43 UTC 2023

PRIMARY

PUBCHEM

3084367

Created by admin on Sat Dec 16 09:57:43 UTC 2023 , Edited by admin on Sat Dec 16 09:57:43 UTC 2023

PRIMARY

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