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Details

Stereochemistry ABSOLUTE
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 (24S,25)-EPOXYDAMMARANE-12,20, 26-TRIOL-3-BETA-D-GLUCOPYRANOSIDE

SMILES

CC1(C)[C@]2([H])CC[C@]3(C)[C@]([H])(C[C@]([H])([C@]4([H])[C@]([H])(CC[C@]43C)[C@](C)(CC[C@@]5([H])[C@](C)(CO)O5)O)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=FKYJBZVFCMEMMW-GWORXFGNSA-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)35(6,43)15-11-25-36(7,18-38)46-25/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 ABSOLUTE
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 13:27:50 UTC 2021
Edited
by admin
on Sat Jun 26 13:27:50 UTC 2021
Record UNII
M4J3MW9AT6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(24S,25)-EPOXYDAMMARANE-12,20, 26-TRIOL-3-BETA-D-GLUCOPYRANOSIDE
Systematic Name English
(2R,3R,4S,5S,6R)-2-(((3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-HYDROXY-17-((1S)-1-HYDROXY-3-((2S,3S)-3-(HYDROXYMETHYL)-3-METHYL-OXIRAN-2-YL)-1-METHYL-PROPYL)-4,4,8,10,14-PENTAMETHYL-2,3,5,6,7,9,11,12,13,15,16,17-DODECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-3-YL)OX
Systematic Name English
20(S)-GINSENOSIDE RH2 METABOLITE M3-9
Common Name English
Code System Code Type Description
FDA UNII
M4J3MW9AT6
Created by admin on Sat Jun 26 13:27:50 UTC 2021 , Edited by admin on Sat Jun 26 13:27:50 UTC 2021
PRIMARY
PUBCHEM
118753435
Created by admin on Sat Jun 26 13:27:50 UTC 2021 , Edited by admin on Sat Jun 26 13:27:50 UTC 2021
PRIMARY
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