CIMIRACEMOSIDE O

Details

Stereochemistry	UNKNOWN
Molecular Formula	C39H58O12
Molecular Weight	718.8706
Optical Activity	UNSPECIFIED
Defined Stereocenters	18 / 19
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C[C@@]3(C)[C@]4([H])CC[C@]5([H])[C@]6(C[C@@]46C[C@@H](OC(C)=O)[C@]3(C)[C@@]1([H])[C@H](C)C[C@]7(OC(O)[C@]8(C)O[C@H]78)O2)CC[C@H](O[C@]9([H])OC[C@@H](OC(C)=O)[C@H](O)[C@H]9O)C5(C)C

InChI

InChIKey=PGTPUTFNHDMKJT-YNHOCJQGSA-N

InChI=1S/C39H58O12/c1-18-13-39(31-36(8,50-31)32(44)51-39)49-21-14-34(6)24-10-9-23-33(4,5)25(48-30-29(43)28(42)22(16-45-30)46-19(2)40)11-12-37(23)17-38(24,37)15-26(47-20(3)41)35(34,7)27(18)21/h18,21-32,42-44H,9-17H2,1-8H3/t18-,21+,22-,23+,24+,25+,26-,27+,28+,29-,30+,31+,32?,34+,35-,36-,37-,38+,39-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C39H58O12
Molecular Weight	718.8706
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	17 / 19
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:52:08 GMT 2023` Edited by `admin` on `Sat Dec 16 10:52:08 GMT 2023`
Record UNII	E66B685OU2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CIMIRACEMOSIDE O

Common Name

English

CIMIRACEMOSIDE O, (-)-

Common Name

English

.BETA.-D-XYLOPYRANOSIDE, (3.BETA.,12.BETA.,16.BETA.,23R,24S,25R)-12-(ACETYLOXY)-16,23:23,26:24,25-TRIEPOXY-26-HYDROXY-9,19-CYCLOLANOSTAN-3-YL, 4-ACETATE

Systematic Name

English

Code System Code Type Description

FDA UNII

E66B685OU2

Created by admin on Sat Dec 16 10:52:08 GMT 2023 , Edited by admin on Sat Dec 16 10:52:08 GMT 2023

PRIMARY

PUBCHEM

91827003

Created by admin on Sat Dec 16 10:52:08 GMT 2023 , Edited by admin on Sat Dec 16 10:52:08 GMT 2023

PRIMARY

CAS

473554-79-9

Created by admin on Sat Dec 16 10:52:08 GMT 2023 , Edited by admin on Sat Dec 16 10:52:08 GMT 2023

PRIMARY

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