ACOVENOSIDE A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H46O9
Molecular Weight	550.6808
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]6(O[C@H]1C[C@@H](O)[C@]2(C)C3CC[C@]4(C)[C@H](CC[C@]4(O)C3CC[C@]2([H])C1)C5=CC(=O)OC5)O[C@@H](C)[C@H](O)[C@H](OC)[C@@H]6O

InChI

InChIKey=DKYDBQQIQAPGMH-HPHXMODYSA-N

InChI=1S/C30H46O9/c1-15-24(33)26(36-4)25(34)27(38-15)39-18-12-17-5-6-21-20(29(17,3)22(31)13-18)7-9-28(2)19(8-10-30(21,28)35)16-11-23(32)37-14-16/h11,15,17-22,24-27,31,33-35H,5-10,12-14H2,1-4H3/t15-,17+,18+,19+,20?,21?,22+,24-,25-,26-,27+,28+,29-,30-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H46O9
Molecular Weight	550.6808
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	12 / 14
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:26:14 GMT 2023` Edited by `admin` on `Sat Dec 16 08:26:14 GMT 2023`
Record UNII	4LHP06NPV8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACOVENOSIDE A

Common Name

English

NSC-116787

Code

English

(1.BETA.,3.BETA.,5.BETA.)-3-((6-DEOXY-3-O-METHYL-.ALPHA.-L-TALOPYRANOSYL)OXY)-1,14-DIHYDROXYCARD-20(22)-ENOLIDE

Systematic Name

English

CARD-20(22)-ENOLIDE, 3-((6-DEOXY-3-O-METHYL-.ALPHA.-L-TALOPYRANOSYL)OXY)-1,14-DIHYDROXY-, (1.BETA.,3.BETA.,5.BETA.)-

Systematic Name

English

Code System Code Type Description

CAS

663-95-6