U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H34O8
Molecular Weight 498.5648
Optical Activity UNSPECIFIED
Additional Stereochemistry Yes
Defined Stereocenters 3 / 3
E/Z Centers 1
Charge 0
Stereo Comments AXIAL, S

SHOW SMILES / InChI
Structure of ANGELOYLISOGOMISIN O

SMILES

COC1=C(OC)C(OC)=C2C(C[C@H](C)[C@H](C)[C@@H](OC(=O)C(\C)=C/C)C3=C2C(OC)=C4OCOC4=C3)=C1

InChI

InChIKey=PZUDCPSZWPLXKT-XXDSNBTQSA-N
InChI=1S/C28H34O8/c1-9-14(2)28(29)36-23-16(4)15(3)10-17-11-19(30-5)24(31-6)26(32-7)21(17)22-18(23)12-20-25(27(22)33-8)35-13-34-20/h9,11-12,15-16,23H,10,13H2,1-8H3/b14-9-/t15-,16-,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H34O8
Molecular Weight 498.5648
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:18:52 GMT 2023
Edited
by admin
on Sat Dec 16 11:18:52 GMT 2023
Record UNII
046M30W397
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANGELOYLISOGOMISIN O
Common Name English
SCHISANWILSONIN N
Common Name English
2-BUTENOIC ACID, 2-METHYL-, (6S,7S,8R,13AS)-5,6,7,8-TETRAHYDRO-1,2,3,13-TETRAMETHOXY-6,7-DIMETHYLBENZO(3,4)CYCLOOCTA(1,2-F)(1,3)BENZODIOXOL-8-YL ESTER, (2Z)-
Systematic Name English
Code System Code Type Description
FDA UNII
046M30W397
Created by admin on Sat Dec 16 11:18:52 GMT 2023 , Edited by admin on Sat Dec 16 11:18:52 GMT 2023
PRIMARY
PUBCHEM
91864463
Created by admin on Sat Dec 16 11:18:52 GMT 2023 , Edited by admin on Sat Dec 16 11:18:52 GMT 2023
PRIMARY
CAS
83864-70-4
Created by admin on Sat Dec 16 11:18:52 GMT 2023 , Edited by admin on Sat Dec 16 11:18:52 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT