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Details

Stereochemistry ABSOLUTE
Molecular Formula C35H54O10
Molecular Weight 634.7986
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CIMICIFUGOSIDE H-2

SMILES

C[C@]([H])(CC(=O)[C@@]([H])(C(C)(C)O)O)[C@@]1([H])C(=O)C[C@@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@]([H])(CC[C@]54C[C@@]35[C@]([H])(C[C@]12C)O)O[C@@]6([H])[C@@]([H])([C@]([H])([C@@]([H])(CO6)O)O)O

InChI

InChIKey=SUNYLGIAMKNXMN-GLWILYKISA-N
InChI=1S/C35H54O10/c1-17(12-18(36)28(42)31(4,5)43)25-19(37)13-32(6)22-9-8-21-30(2,3)24(45-29-27(41)26(40)20(38)15-44-29)10-11-34(21)16-35(22,34)23(39)14-33(25,32)7/h9,17,20-21,23-29,38-43H,8,10-16H2,1-7H3/t17-,20-,21+,23+,24+,25+,26+,27-,28+,29+,32+,33-,34-,35+/m1/s1

HIDE SMILES / InChI

Molecular Formula C35H54O10
Molecular Weight 634.7986
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 03:01:49 UTC 2021
Edited
by admin
on Sat Jun 26 03:01:49 UTC 2021
Record UNII
CS0JEH28E6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CIMICIFUGOSIDE H-2
Common Name English
CIMICIFUGOSIDE H 2
Systematic Name English
9,19-CYCLOLANOST-7-ENE-16,23-DIONE, 11,24,25-TRIHYDROXY-3-(.BETA.-D-XYLOPYRANOSYLOXY)-, (3.BETA.,11.BETA.,24R)-
Systematic Name English
CIMICIFUGOSIDE H-2, (-)-
Common Name English
Code System Code Type Description
PUBCHEM
10100589
Created by admin on Sat Jun 26 03:01:49 UTC 2021 , Edited by admin on Sat Jun 26 03:01:49 UTC 2021
PRIMARY
FDA UNII
CS0JEH28E6
Created by admin on Sat Jun 26 03:01:49 UTC 2021 , Edited by admin on Sat Jun 26 03:01:49 UTC 2021
PRIMARY
CAS
161097-77-4
Created by admin on Sat Jun 26 03:01:49 UTC 2021 , Edited by admin on Sat Jun 26 03:01:49 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> ACTIVE CONSTITUENT ALWAYS PRESENT