U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry EPIMERIC
Molecular Formula C36H62O10
Molecular Weight 654.8729
Optical Activity UNSPECIFIED
Defined Stereocenters 17 / 17
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 20,24-EPOXY-12,25,26-TRIHYDROXYDAMMARAN-3-YL-BETA-D-GLUCOPYRANOSIDE, (3BETA,12BETA,24S)-

SMILES

CC1(C)[C@]2([H])CC[C@]3(C)[C@]([H])(C[C@]([H])([C@]4([H])[C@]([H])(CC[C@]43C)[C@]5(C)CC[C@@]([H])([C@@](C)(CO)O)O5)O)[C@@]2(C)CC[C@]1([H])O[C@@]6([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(CO)O6)O)O)O

InChI

InChIKey=KFHAXWKYIZJFQE-KBCCGFBUSA-N
InChI=1S/C36H62O10/c1-31(2)22-9-14-33(4)23(32(22,3)12-10-24(31)45-30-29(42)28(41)27(40)21(17-37)44-30)16-20(39)26-19(8-13-34(26,33)5)36(7)15-11-25(46-36)35(6,43)18-38/h19-30,37-43H,8-18H2,1-7H3/t19-,20+,21+,22-,23+,24-,25-,26-,27+,28-,29+,30-,32-,33+,34+,35?,36-/m0/s1

HIDE SMILES / InChI

Molecular Formula C36H62O10
Molecular Weight 654.8729
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 17 / 17
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 09:47:43 UTC 2021
Edited
by admin
on Sat Jun 26 09:47:43 UTC 2021
Record UNII
8LA9MV82WZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
20,24-EPOXY-12,25,26-TRIHYDROXYDAMMARAN-3-YL-BETA-D-GLUCOPYRANOSIDE, (3BETA,12BETA,24S)-
Common Name English
20(S)-GINSENOSIDE RH2 METABOLITE M3-10
Common Name English
.BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,12.BETA.,24S)-20,24-EPOXY-12,25,26-TRIHYDROXYDAMMARAN-3-YL
Systematic Name English
Code System Code Type Description
PUBCHEM
118753436
Created by admin on Sat Jun 26 09:47:43 UTC 2021 , Edited by admin on Sat Jun 26 09:47:43 UTC 2021
PRIMARY
FDA UNII
8LA9MV82WZ
Created by admin on Sat Jun 26 09:47:43 UTC 2021 , Edited by admin on Sat Jun 26 09:47:43 UTC 2021
PRIMARY
CAS
1703783-91-8
Created by admin on Sat Jun 26 09:47:43 UTC 2021 , Edited by admin on Sat Jun 26 09:47:43 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
IN VITRO