CIMIRACEMOSIDE I

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H52O8
Molecular Weight	600.7826
Optical Activity	UNSPECIFIED
Defined Stereocenters	16 / 16
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C[C@@]3(C)C4=CC[C@]5([H])[C@]6(C[C@@]46CC[C@]3(C)[C@@]1([H])[C@H](C)C[C@]7(OC[C@]8(C)O[C@H]78)O2)CC[C@H](O[C@]9([H])OC[C@@H](O)[C@H](O)[C@H]9O)C5(C)C

InChI

InChIKey=FZLZHFMMPIVMNA-GGKBUSOCSA-N

InChI=1S/C35H52O8/c1-18-13-35(28-32(6,43-28)17-40-35)42-20-14-31(5)22-8-7-21-29(2,3)23(41-27-26(38)25(37)19(36)15-39-27)9-10-33(21)16-34(22,33)12-11-30(31,4)24(18)20/h8,18-21,23-28,36-38H,7,9-17H2,1-6H3/t18-,19-,20+,21+,23+,24+,25+,26-,27+,28+,30-,31+,32+,33-,34+,35+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C35H52O8
Molecular Weight	600.7826
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 `Sat Dec 16 09:39:44 UTC 2023` Edited by `admin` on `Sat Dec 16 09:39:44 UTC 2023`
Record UNII	97U55D891F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CIMIRACEMOSIDE I

Common Name

English

.BETA.-D-XYLOPYRANOSIDE, (3.BETA.,16.BETA.,23S,24S,25S)-16,23:23,26:24,25-TRIEPOXY-9,19-CYCLOLANOST-7-EN-3-YL

Systematic Name

English

7-DEHYDRO-23-EPI-12,26-DIDEOXYACTEOL-3-O-.BETA.-D-XYLOPYRANOSIDE

Common Name

English

Code System Code Type Description

PUBCHEM

21591917

Created by admin on Sat Dec 16 09:39:44 UTC 2023 , Edited by admin on Sat Dec 16 09:39:44 UTC 2023

PRIMARY

CAS

473554-73-3

Created by admin on Sat Dec 16 09:39:44 UTC 2023 , Edited by admin on Sat Dec 16 09:39:44 UTC 2023

PRIMARY

FDA UNII

97U55D891F

Created by admin on Sat Dec 16 09:39:44 UTC 2023 , Edited by admin on Sat Dec 16 09:39:44 UTC 2023

PRIMARY

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