CIMIRACEMOSIDE E

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H58O11
Molecular Weight	678.8498
Optical Activity	UNSPECIFIED
Defined Stereocenters	16 / 16
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12O[C@]([H])(C[C@@H](CO)[C@]1([H])[C@@]3(C)CC[C@@]45C[C@@]46CC[C@H](O[C@]7([H])OC[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@]6([H])CC[C@@]5([H])[C@]3(C)C2=O)[C@H](OC(C)=O)C(C)(C)O

InChI

InChIKey=WBQXCIWJYDQQNN-VNAQBZDGSA-N

InChI=1S/C37H58O11/c1-18(39)46-30(33(4,5)44)21-14-19(15-38)25-28(47-21)29(43)35(7)23-9-8-22-32(2,3)24(48-31-27(42)26(41)20(40)16-45-31)10-11-36(22)17-37(23,36)13-12-34(25,35)6/h19-28,30-31,38,40-42,44H,8-17H2,1-7H3/t19-,20+,21+,22-,23-,24-,25-,26-,27+,28+,30-,31-,34+,35+,36+,37-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C37H58O11
Molecular Weight	678.8498
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	15 / 16
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 20:32:56 UTC 2023` Edited by `admin` on `Fri Dec 15 20:32:56 UTC 2023`
Record UNII	M5H3G60RPD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CIMIRACEMOSIDE E

Common Name

English

CIMIRACEMOSIDE E, (-)-

Common Name

English

9,19-CYCLOLANOSTAN-15-ONE, 24-(ACETYLOXY)-16,23-EPOXY-21,25-DIHYDROXY-3-(.BETA.-D-XYLOPYRANOSYLOXY)-, (3.BETA.,16.BETA.,23R,24S)-

Common Name

English

Code System Code Type Description

CAS

290821-40-8

Created by admin on Fri Dec 15 20:32:56 UTC 2023 , Edited by admin on Fri Dec 15 20:32:56 UTC 2023

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PUBCHEM

91827210

Created by admin on Fri Dec 15 20:32:56 UTC 2023 , Edited by admin on Fri Dec 15 20:32:56 UTC 2023

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FDA UNII

M5H3G60RPD

Created by admin on Fri Dec 15 20:32:56 UTC 2023 , Edited by admin on Fri Dec 15 20:32:56 UTC 2023

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