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Details

Stereochemistry ABSOLUTE
Molecular Formula C35H54O8
Molecular Weight 602.7998
Optical Activity UNSPECIFIED
Defined Stereocenters 17 / 17
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 25-ANHYDROCIMIGENOL 3-O-.BETA.-D-XYLOSIDE

SMILES

C=C(C)[C@]1([H])[C@@]2([H])C[C@@]([H])(C)[C@]3([H])[C@@]4(C)CC[C@]56C[C@]76CC[C@@]([H])(C(C)(C)[C@]7([H])CC[C@@]5([H])[C@]4(C)[C@]([H])([C@@]3(O2)O1)O)O[C@@]8([H])[C@@]([H])([C@]([H])([C@@]([H])(CO8)O)O)O

InChI

InChIKey=CVBALRXHSITZGC-PVGNLWKZSA-N
InChI=1S/C35H54O8/c1-17(2)26-20-14-18(3)27-31(6)12-13-34-16-33(34)11-10-23(41-28-25(38)24(37)19(36)15-40-28)30(4,5)21(33)8-9-22(34)32(31,7)29(39)35(27,42-20)43-26/h18-29,36-39H,1,8-16H2,2-7H3/t18-,19-,20-,21+,22+,23+,24+,25-,26-,27-,28+,29-,31-,32-,33-,34+,35+/m1/s1

HIDE SMILES / InChI

Molecular Formula C35H54O8
Molecular Weight 602.7998
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 16 / 17
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 14:42:16 UTC 2021
Edited
by admin
on Sat Jun 26 14:42:16 UTC 2021
Record UNII
5M144D60TC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
25-ANHYDROCIMIGENOL 3-O-.BETA.-D-XYLOSIDE
Common Name English
.BETA.-D-XYLOPYRANOSIDE, (3.BETA.,15.ALPHA.,16.ALPHA.,23R,24R)-16,23:16,24-DIEPOXY-15-HYDROXY-9,19-CYCLOLANOST-25-EN-3-YL
Systematic Name English
25-ANHYDROCIMIGENOL 3-.BETA.-D-XYLOSIDE
Common Name English
Code System Code Type Description
CAS
181765-11-7
Created by admin on Sat Jun 26 14:42:16 UTC 2021 , Edited by admin on Sat Jun 26 14:42:16 UTC 2021
PRIMARY
FDA UNII
5M144D60TC
Created by admin on Sat Jun 26 14:42:16 UTC 2021 , Edited by admin on Sat Jun 26 14:42:16 UTC 2021
PRIMARY
PUBCHEM
15967434
Created by admin on Sat Jun 26 14:42:16 UTC 2021 , Edited by admin on Sat Jun 26 14:42:16 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT