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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H58O11
Molecular Weight 678.8512
Optical Activity UNSPECIFIED
Defined Stereocenters 18 / 18
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CIMIRACEMOSIDE H

SMILES

C[C@@]1([H])[C@@]2([H])[C@]([H])(C[C@@]3(C)[C@]4([H])CC[C@@]5([H])C(C)(C)[C@]([H])(CC[C@]65C[C@@]46C[C@]([H])([C@]23C)OC(=O)C)O[C@@]7([H])[C@@]([H])([C@]([H])([C@@]([H])(CO7)O)O)O)O[C@]8([C@]1([H])OC(C)(C)[C@@]8([H])O)O

InChI

InChIKey=CXMFZKKIWJFZLS-SZNLZWPUSA-N
InChI=1S/C37H58O11/c1-17-25-20(47-37(43)28(17)48-32(5,6)30(37)42)13-33(7)22-10-9-21-31(3,4)23(46-29-27(41)26(40)19(39)15-44-29)11-12-35(21)16-36(22,35)14-24(34(25,33)8)45-18(2)38/h17,19-30,39-43H,9-16H2,1-8H3/t17-,19+,20-,21-,22-,23-,24+,25-,26-,27+,28+,29-,30+,33-,34+,35+,36-,37-/m0/s1

HIDE SMILES / InChI

Molecular Formula C37H58O11
Molecular Weight 678.8512
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 17 / 18
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 14:37:51 UTC 2021
Edited
by admin
on Sat Jun 26 14:37:51 UTC 2021
Record UNII
71286361JH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CIMIRACEMOSIDE H
Common Name English
CIMIRACEMOSIDE H, (-)-
Common Name English
.BETA.-D-XYLOPYRANOSIDE, (3.BETA.,12.BETA.,16.BETA.,22R,23R,24R)-12-(ACETYLOXY)-16,23:22,25-DIEPOXY-23,24-DIHYDROXY-9,19-CYCLOLANOSTAN-3-YL
Common Name English
Code System Code Type Description
PUBCHEM
21606553
Created by admin on Sat Jun 26 14:37:51 UTC 2021 , Edited by admin on Sat Jun 26 14:37:51 UTC 2021
PRIMARY
FDA UNII
71286361JH
Created by admin on Sat Jun 26 14:37:51 UTC 2021 , Edited by admin on Sat Jun 26 14:37:51 UTC 2021
PRIMARY
CAS
290821-41-9
Created by admin on Sat Jun 26 14:37:51 UTC 2021 , Edited by admin on Sat Jun 26 14:37:51 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT