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Details

Stereochemistry ABSOLUTE
Molecular Formula C35H56O10
Molecular Weight 636.8145
Optical Activity UNSPECIFIED
Defined Stereocenters 17 / 17
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CIMIRACEMOSIDE B

SMILES

CC1(C)[C@]2([H])CC[C@@]3([H])[C@]4(C)[C@]([H])([C@]56[C@]([H])([C@@]([H])(C[C@]([H])([C@@]([H])(C(C)(C)O)O5)O6)CO)[C@@]4(C)CC[C@@]73C[C@]27CC[C@]1([H])O[C@@]8([H])[C@@]([H])([C@]([H])([C@@]([H])(CO8)O)O)O)O

InChI

InChIKey=BLSOWYXADNOUMK-VEVWYUDJSA-N
InChI=1S/C35H56O10/c1-29(2)20-7-8-21-32(6)28(40)35-25(17(14-36)13-19(44-35)26(45-35)30(3,4)41)31(32,5)11-12-34(21)16-33(20,34)10-9-22(29)43-27-24(39)23(38)18(37)15-42-27/h17-28,36-41H,7-16H2,1-6H3/t17-,18+,19+,20-,21-,22-,23-,24+,25+,26-,27-,28+,31+,32+,33+,34-,35-/m0/s1

HIDE SMILES / InChI

Molecular Formula C35H56O10
Molecular Weight 636.8145
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 16 / 17
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 15:36:50 UTC 2021
Edited
by admin
on Sat Jun 26 15:36:50 UTC 2021
Record UNII
C14I8V7U36
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CIMIRACEMOSIDE B
Common Name English
.BETA.-D-XYLOPYRANOSIDE, (3.BETA.,15.ALPHA.,16.ALPHA.,23R,24S)-16,23:16,24-DIEPOXY-15,21,25-TRIHYDROXY-9,19-CYCLOLANOSTAN-3-YL
Common Name English
21-HYDROXYCIMIGENOL 3-O-.BETA.-D-XYLOPYRANOSIDE
Common Name English
CIMIRACEMOSIDE B (C35)
Common Name English
CIMIRACEMOSIDE B, (+)-
Common Name English
Code System Code Type Description
FDA UNII
C14I8V7U36
Created by admin on Sat Jun 26 15:36:50 UTC 2021 , Edited by admin on Sat Jun 26 15:36:50 UTC 2021
PRIMARY
CAS
290821-38-4
Created by admin on Sat Jun 26 15:36:50 UTC 2021 , Edited by admin on Sat Jun 26 15:36:50 UTC 2021
PRIMARY
PUBCHEM
91826883
Created by admin on Sat Jun 26 15:36:50 UTC 2021 , Edited by admin on Sat Jun 26 15:36:50 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT