Guanacastepene A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H30O5
Molecular Weight	374.4706
Optical Activity	( + )
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)[C@H]1[C@@H](OC(C)=O)C(=O)C2=CC3=C(C=O)[C@@H](O)CC[C@@]3(C)CC[C@]12C

InChI

InChIKey=KCPNSIPCHJTGHJ-MYHSIESUSA-N

InChI=1S/C22H30O5/c1-12(2)18-20(27-13(3)24)19(26)16-10-15-14(11-23)17(25)6-7-21(15,4)8-9-22(16,18)5/h10-12,17-18,20,25H,6-9H2,1-5H3/t17-,18-,20+,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H30O5
Molecular Weight	374.4706
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 `Wed Apr 02 09:21:07 GMT 2025` Edited by `admin` on `Wed Apr 02 09:21:07 GMT 2025`
Record UNII	G5H7ZB2HDF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Guanacastepene A

Common Name

English

(+)-Guanacastepene

Preferred Name

English

(1R,2R,6S,8aR,10aR)-2-(Acetyloxy)-1,2,3,6,7,8,8a,9,10,10a-decahydro-6-hydroxy-8a,10a-dimethyl-1-(1-methylethyl)-3-oxobenz[f]azulene-5-carboxaldehyde

Systematic Name

English

Guanacastepene

Common Name

English

Guanacastepene A, (+)-

Common Name

English

Code System Code Type Description

PUBCHEM

10384802