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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H33NO4
Molecular Weight 399.5231
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ASPOCHALASIN A

SMILES

CC(C)C[C@@H]1NC(=O)[C@]23[C@H]1[C@H](C)C(C)=C[C@@H]2\C=C(C)\CCC(=O)C(=O)CCC3=O

InChI

InChIKey=BPFQGYYSWWQTFO-HPPWZVCISA-N
InChI=1S/C24H33NO4/c1-13(2)10-18-22-16(5)15(4)12-17-11-14(3)6-7-19(26)20(27)8-9-21(28)24(17,22)23(29)25-18/h11-13,16-18,22H,6-10H2,1-5H3,(H,25,29)/b14-11+/t16-,17+,18+,22+,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H33NO4
Molecular Weight 399.5231
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 17:02:09 GMT 2025
Edited
by admin
on Tue Apr 01 17:02:09 GMT 2025
Record UNII
6PGL7Q6HDT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ASPOCHALASIN A
Common Name English
J157.898G
Preferred Name English
(3S,13E,(-))-14-METHYL-3-(2-METHYLPROPYL)-10-NOR(11)CYTOCHALASA-6,13-DIENE-1,17,18,21-TETRONE
Systematic Name English
1H-CYCLOUNDEC(D)ISOINDOLE-1,11,12,15(2H)-TETRONE, 3,3A,4,6A,9,10,13,14-OCTAHYDRO-4,5,8-TRIMETHYL-3-(2-METHYLPROPYL)-, (3S,3AR,4S,6AS,7E,15AS)-
Systematic Name English
(3S,3AR,4S,6AS,7E,15AS)-3,3A,4,6A,9,10,13,14-OCTAHYDRO-4,5,8-TRIMETHYL-3-(2-METHYLPROPYL)-1H-CYCLOUNDEC(D)ISOINDOLE-1,11,12,15(2H)-TETRONE
Systematic Name English
ASPOSTEROL
Common Name English
10-NOR(11)CYTOCHALASA-6,13-DIENE-1,17,18,21-TETRONE, 14-METHYL-3-(2-METHYLPROPYL)-, (3S,13E)-
Systematic Name English
Code System Code Type Description
CAS
72363-48-5
Created by admin on Tue Apr 01 17:02:09 GMT 2025 , Edited by admin on Tue Apr 01 17:02:09 GMT 2025
PRIMARY
FDA UNII
6PGL7Q6HDT
Created by admin on Tue Apr 01 17:02:09 GMT 2025 , Edited by admin on Tue Apr 01 17:02:09 GMT 2025
PRIMARY
PUBCHEM
6440468
Created by admin on Tue Apr 01 17:02:09 GMT 2025 , Edited by admin on Tue Apr 01 17:02:09 GMT 2025
PRIMARY