VERODOXIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H46O10
Molecular Weight	578.6909
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](C[C@]34O)OC=O)C5=CC(=O)OC5)[C@@]1(C)CC[C@@H](C2)O[C@]6([H])O[C@H](C)[C@H](O)[C@H](OC)[C@H]6O

InChI

InChIKey=XKWTVJAWBRFKLO-KZVRXWHRSA-N

InChI=1S/C31H46O10/c1-16-25(34)27(37-4)26(35)28(40-16)41-19-7-9-29(2)18(12-19)5-6-21-20(29)8-10-30(3)24(17-11-23(33)38-14-17)22(39-15-32)13-31(21,30)36/h11,15-16,18-22,24-28,34-36H,5-10,12-14H2,1-4H3/t16-,18-,19+,20+,21-,22+,24+,25+,26-,27+,28+,29+,30-,31+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C31H46O10
Molecular Weight	578.6909
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 06:11:21 GMT 2023` Edited by `admin` on `Sat Dec 16 06:11:21 GMT 2023`
Record UNII	MRI4T5X655
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VERODOXIN

Common Name

English

STROSPESIDE, 16-FORMATE

Common Name

English

CARD-20(22)-ENOLIDE, 3-((6-DEOXY-3-O-METHYL-D-GALACTOPYRANOSYL)OXY)-16-(FORMYLOXY)-14-HYDROXY-, (3.BETA.,5.BETA.,16.BETA.)-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID80988453

Created by admin on Sat Dec 16 06:11:21 GMT 2023 , Edited by admin on Sat Dec 16 06:11:21 GMT 2023

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CAS

6875-10-1

Created by admin on Sat Dec 16 06:11:21 GMT 2023 , Edited by admin on Sat Dec 16 06:11:21 GMT 2023

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PUBCHEM

76960910

Created by admin on Sat Dec 16 06:11:21 GMT 2023 , Edited by admin on Sat Dec 16 06:11:21 GMT 2023

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FDA UNII

MRI4T5X655

Created by admin on Sat Dec 16 06:11:21 GMT 2023 , Edited by admin on Sat Dec 16 06:11:21 GMT 2023

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