ALLOCYATHIN B3

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H28O3
Molecular Weight	316.4345
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C1=C2[C@H]3C[C@H]4O[C@](O)(C=C4CO)[C@]3(C)CC[C@@]2(C)C=C1

InChI

InChIKey=LHBPXCBNIOXEIB-YKXHTNLXSA-N

InChI=1S/C20H28O3/c1-12(2)14-5-6-18(3)7-8-19(4)15(17(14)18)9-16-13(11-21)10-20(19,22)23-16/h5-6,10,12,15-16,21-22H,7-9,11H2,1-4H3/t15-,16-,18-,19-,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H28O3
Molecular Weight	316.4345
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:44:40 GMT 2025` Edited by `admin` on `Mon Mar 31 22:44:40 GMT 2025`
Record UNII	0RK4EO1Z6N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALLOCYATHIN B3

Common Name

English

(3AS,5AR,6R,9R,10AR)-3A,4,5,5A,6,9,10,10A-OCTAHYDRO-6-HYDROXY-3A,5A-DIMETHYL-1-(1-METHYLETHYL)-6,9-EPOXYCYCLOHEPT(E)INDENE-8-METHANOL

Preferred Name

English

6,9-EPOXYCYCLOHEPT(E)INDENE-8-METHANOL, 3A,4,5,5A,6,9,10,10A-OCTAHYDRO-6-HYDROXY-3A,5A-DIMETHYL-1-(1-METHYLETHYL)-, (3AS-(3A.ALPHA.,5A.BETA.,6.BETA.,9.BETA.,10A.ALPHA.))-

Systematic Name

English

Code System Code Type Description

CAS

38459-01-7

Created by admin on Mon Mar 31 22:44:40 GMT 2025 , Edited by admin on Mon Mar 31 22:44:40 GMT 2025

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PUBCHEM

101306690

Created by admin on Mon Mar 31 22:44:40 GMT 2025 , Edited by admin on Mon Mar 31 22:44:40 GMT 2025

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FDA UNII

0RK4EO1Z6N

Created by admin on Mon Mar 31 22:44:40 GMT 2025 , Edited by admin on Mon Mar 31 22:44:40 GMT 2025

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