USCHARIDIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H38O9
Molecular Weight	530.6066
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
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](CC[C@]34O)C5=CC(=O)OC5)[C@]1(C[C@@]6([H])O[C@@]7(O)C(=O)C[C@@H](C)O[C@@]7([H])O[C@]6([H])C2)C=O

InChI

InChIKey=YOCULAYFPPWLRI-OLEQQPCLSA-N

InChI=1S/C29H38O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h10,14-15,17-22,25,33-34H,3-9,11-13H2,1-2H3/t15-,17+,18-,19+,20-,21-,22-,25+,26-,27-,28+,29+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H38O9
Molecular Weight	530.6066
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:22:09 GMT 2023` Edited by `admin` on `Sat Dec 16 11:22:09 GMT 2023`
Record UNII	2GU13C5298
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

USCHARIDIN

Common Name

English

(2.ALPHA.,3.BETA.,5.ALPHA.)-14-HYDROXY-19-OXO-2,3-(((2S,3R,6R)-TETRAHYDRO-3-HYDROXY-6-METHYL-4-OXO-2H-PYRAN-3,2-DIYL)BIS(OXY))CARD-20(22)-ENOLIDE

Systematic Name

English

USCHARIDIN [MI]

Common Name

English

CARD-20(22)-ENOLIDE, 14-HYDROXY-19-OXO-2,3-(((2S,3R,6R)-TETRAHYDRO-3-HYDROXY-6-METHYL-4-OXO-2H-PYRAN-3,2-DIYL)BIS(OXY))-, (2.ALPHA.,3.BETA.,5.ALPHA.)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID30947156