ADONITOXIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H42O10
Molecular Weight	550.6378
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H]([C@@H](O)C[C@]34O)C5=CC(=O)OC5)[C@]1(CC[C@@H](C2)O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C=O

InChI

InChIKey=ARANEVHRNOGYRH-BBNLJEPRSA-N

InChI=1S/C29H42O10/c1-14-23(33)24(34)25(35)26(38-14)39-17-5-8-28(13-30)16(10-17)3-4-19-18(28)6-7-27(2)22(15-9-21(32)37-12-15)20(31)11-29(19,27)36/h9,13-14,16-20,22-26,31,33-36H,3-8,10-12H2,1-2H3/t14-,16+,17-,18-,19+,20-,22-,23-,24+,25+,26-,27+,28+,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H42O10
Molecular Weight	550.6378
Charge	0
Count

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

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:19:54 GMT 2023` Edited by `admin` on `Sat Dec 16 08:19:54 GMT 2023`
Record UNII	HQ20654884
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ADONITOXIN

Common Name

English

ADONITOXIN [MI]

Common Name

English

(3.BETA.,5.BETA.,16.BETA.)-3-((6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)OXY)-14,16-DIHYDROXY-19-OXOCARD-20(22)-ENOLIDE

Systematic Name

English

CARD-20(22)-ENOLIDE, 3-((6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)OXY)-14,16-DIHYDROXY-19-OXO-, (3.BETA.,5.BETA.,16.BETA.)-

Systematic Name

English

Code System Code Type Description

CAS

17651-61-5