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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H54O10
Molecular Weight 658.8201
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2'-O-ACETYLCIMICIFUGOSIDE H1

SMILES

C[C@]([H])(CC(=O)[C@@]1([H])C(C)(C)O1)[C@@]2([H])C(=O)C[C@@]3(C)C4=CC[C@@]5([H])C(C)(C)[C@]([H])(CC[C@]65C[C@@]46[C@]([H])(C[C@]23C)O)O[C@@]7([H])[C@@]([H])([C@]([H])([C@@]([H])(CO7)O)O)OC(=O)C

InChI

InChIKey=MNVOISCRUILNIB-GDSCQWQKSA-N
InChI=1S/C37H54O10/c1-18(13-20(39)30-33(5,6)47-30)27-21(40)14-34(7)24-10-9-23-32(3,4)26(46-31-29(45-19(2)38)28(43)22(41)16-44-31)11-12-36(23)17-37(24,36)25(42)15-35(27,34)8/h10,18,22-23,25-31,41-43H,9,11-17H2,1-8H3/t18-,22-,23+,25+,26+,27+,28+,29-,30+,31+,34+,35-,36-,37+/m1/s1

HIDE SMILES / InChI

Molecular Formula C37H54O10
Molecular Weight 658.8201
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 14 / 14
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 08:01:47 UTC 2021
Edited
by admin
on Sat Jun 26 08:01:47 UTC 2021
Record UNII
283GWN29E1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2'-O-ACETYLCIMICIFUGOSIDE H1
Common Name English
9,19-CYCLOLANOST-7-ENE-16,23-DIONE, 3-((2-O-ACETYL-.BETA.-D-XYLOPYRANOSYL)OXY)-24,25-EPOXY-11-HYDROXY-,(3.BETA.,11.BETA.,24R)-
Systematic Name English
2'-O-ACETYLCIMICIFUGOSIDE H-1
Common Name English
Code System Code Type Description
FDA UNII
283GWN29E1
Created by admin on Sat Jun 26 08:01:47 UTC 2021 , Edited by admin on Sat Jun 26 08:01:47 UTC 2021
PRIMARY
CAS
903872-34-4
Created by admin on Sat Jun 26 08:01:47 UTC 2021 , Edited by admin on Sat Jun 26 08:01:47 UTC 2021
PRIMARY
PUBCHEM
91826839
Created by admin on Sat Jun 26 08:01:47 UTC 2021 , Edited by admin on Sat Jun 26 08:01:47 UTC 2021
PRIMARY
Related Record Type Details
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