SCABIOLIDE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C21H28O8
Molecular Weight	408.4422
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)OC\C1=C/[C@@H](OC(=O)C(C)(O)CO)[C@H]2[C@H](C\C(C)=C\CC1)OC(=O)C2=C

InChI

InChIKey=SQQDHMIYFXZFNM-AUULSJCKSA-N

InChI=1S/C21H28O8/c1-12-6-5-7-15(10-27-14(3)23)9-17(29-20(25)21(4,26)11-22)18-13(2)19(24)28-16(18)8-12/h6,9,16-18,22,26H,2,5,7-8,10-11H2,1,3-4H3/b12-6+,15-9-/t16-,17+,18+,21?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H28O8
Molecular Weight	408.4422
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	3 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:24:32 GMT 2023` Edited by `admin` on `Sat Dec 16 01:24:32 GMT 2023`
Record UNII	EFH15717UP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SCABIOLIDE

Common Name

English

NSC-109435

Code

English

PROPANOIC ACID, 2,3-DIHYDROXY-2-METHYL-, 6-((ACETYLOXY)METHYL)-2,3,3A,4,7,8,11,11A-OCTAHYDRO-10-METHYL-3-METHYLENE-2-OXOCYCLODECA(B)FURAN-4-YL ESTER

Systematic Name

English

SCABIOLIDE [MI]

Common Name

English

Code System Code Type Description

PUBCHEM

20055022