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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H56O11
Molecular Weight 676.8354
Optical Activity UNSPECIFIED
Defined Stereocenters 17 / 17
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACTAEAEPOXIDE-3-O-.BETA.-D-XYLOPYRANOSIDE

SMILES

C[C@@]1([H])[C@@]2([H])[C@]([H])(C[C@@]3(C)C4=CC[C@@]5([H])C(C)(C)[C@]([H])(CC[C@]65C[C@@]46C[C@]([H])([C@]23C)OC(=O)C)O[C@@]7([H])[C@@]([H])([C@]([H])([C@@]([H])(CO7)O)O)O)O[C@@]8([C@]1([H])O)[C@]([H])(C(C)(C)O)O8

InChI

InChIKey=CNSJLMJKDVWQGM-VYBDBSRDSA-N
InChI=1S/C37H56O11/c1-17-25-20(47-37(28(17)42)30(48-37)32(5,6)43)13-33(7)22-10-9-21-31(3,4)23(46-29-27(41)26(40)19(39)15-44-29)11-12-35(21)16-36(22,35)14-24(34(25,33)8)45-18(2)38/h10,17,19-21,23-30,39-43H,9,11-16H2,1-8H3/t17-,19+,20-,21-,23-,24+,25-,26-,27+,28+,29-,30-,33-,34+,35+,36-,37+/m0/s1

HIDE SMILES / InChI

Molecular Formula C37H56O11
Molecular Weight 676.8354
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 14:52:39 UTC 2021
Edited
by admin
on Sat Jun 26 14:52:39 UTC 2021
Record UNII
Q46GZJ671C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACTAEAEPOXIDE-3-O-.BETA.-D-XYLOPYRANOSIDE
Common Name English
.BETA.-D-XYLOPYRANOSIDE, (3.BETA.,12.BETA.,16.BETA.,22R,23R,24S)-12-(ACETYLOXY)-16,23:23,24-DIEPOXY-22,25-DIHYDROXY-9,19-CYCLOLANOST-7-EN-3-YL
Systematic Name English
ACTAEAEPOXIDE-3-O-.BETA.-D-XYLOPYRANOSIDE, (-)-
Common Name English
Code System Code Type Description
FDA UNII
Q46GZJ671C
Created by admin on Sat Jun 26 14:52:39 UTC 2021 , Edited by admin on Sat Jun 26 14:52:39 UTC 2021
PRIMARY
CAS
356522-35-5
Created by admin on Sat Jun 26 14:52:39 UTC 2021 , Edited by admin on Sat Jun 26 14:52:39 UTC 2021
PRIMARY
PUBCHEM
15515494
Created by admin on Sat Jun 26 14:52:39 UTC 2021 , Edited by admin on Sat Jun 26 14:52:39 UTC 2021
PRIMARY
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