SARMENTOCYMARIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H46O8
Molecular Weight	534.6814
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(C[C@H](OC)[C@@H](O)[C@@H](C)O1)O[C@H]2CC[C@@]3(C)[C@]([H])(CC[C@]4([H])[C@]3([H])[C@H](O)C[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2

InChI

InChIKey=LEORFFVSVUWAEY-VKZDBDJISA-N

InChI=1S/C30H46O8/c1-16-27(33)23(35-4)13-25(37-16)38-19-7-9-28(2)18(12-19)5-6-21-26(28)22(31)14-29(3)20(8-10-30(21,29)34)17-11-24(32)36-15-17/h11,16,18-23,25-27,31,33-34H,5-10,12-15H2,1-4H3/t16-,18-,19+,20-,21-,22-,23+,25+,26-,27+,28+,29-,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H46O8
Molecular Weight	534.6814
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 13
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 00:41:45 GMT 2023` Edited by `admin` on `Sat Dec 16 00:41:45 GMT 2023`
Record UNII	50D3OM9Y02
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SARMENTOCYMARIN

Common Name

English

CARD-20(22)-ENOLIDE, 3-((2,6-DIDEOXY-3-O-METHYL-.BETA.-D-XYLO-HEXOPYRANOSYL)OXY)-11,14-DIHYDROXY-, (3.BETA.,5.BETA.,11.ALPHA.)-

Systematic Name

English

Code System Code Type Description

CAS

98633-61-5

Created by admin on Sat Dec 16 00:41:45 GMT 2023 , Edited by admin on Sat Dec 16 00:41:45 GMT 2023

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EPA CompTox

DTXSID70913153

Created by admin on Sat Dec 16 00:41:45 GMT 2023 , Edited by admin on Sat Dec 16 00:41:45 GMT 2023

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FDA UNII

50D3OM9Y02

Created by admin on Sat Dec 16 00:41:45 GMT 2023 , Edited by admin on Sat Dec 16 00:41:45 GMT 2023

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PUBCHEM

6914702

Created by admin on Sat Dec 16 00:41:45 GMT 2023 , Edited by admin on Sat Dec 16 00:41:45 GMT 2023

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