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

Details

Stereochemistry ACHIRAL
Molecular Formula C32H48O8
Molecular Weight 560.7187
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIHYDROCUCURBITACIN B

SMILES

[H][C@@]1([C@H](O)C[C@@]2(C)[C@]3([H])CC=C4[C@@]([H])(C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C)[C@@](C)(O)C(=O)CCC(C)(C)OC(C)=O

InChI

InChIKey=QZJJDOYZVRUEDY-NRNCYQGDSA-N
InChI=1S/C32H48O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,19-22,25,34-35,39H,11-16H2,1-9H3/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
DIHYDROCUCURBITACIN B
Common Name English
23,24-DIHYDROCUCURBITACIN B
Common Name English
19-NORLANOST-5-ENE-3,11,22-TRIONE, 25-(ACETYLOXY)-2,16,20-TRIHYDROXY-9-METHYL-, (2.BETA.,9.BETA.,10.ALPHA.,16.ALPHA.)-
Systematic Name English
(2.BETA.,9.BETA.,10.ALPHA.,16.ALPHA.)-25-(ACETYLOXY)-2,16,20-TRIHYDROXY-9-METHYL-19-NORLANOST-5-ENE-3,11,22-TRIONE
Systematic Name English
NSC-106401
Code English
Code System Code Type Description
PUBCHEM
267250
Created by admin on Sat Dec 16 19:05:07 GMT 2023 , Edited by admin on Sat Dec 16 19:05:07 GMT 2023
PRIMARY
CHEBI
62217
Created by admin on Sat Dec 16 19:05:07 GMT 2023 , Edited by admin on Sat Dec 16 19:05:07 GMT 2023
PRIMARY
EPA CompTox
DTXSID701314710
Created by admin on Sat Dec 16 19:05:07 GMT 2023 , Edited by admin on Sat Dec 16 19:05:07 GMT 2023
PRIMARY
NSC
106401
Created by admin on Sat Dec 16 19:05:07 GMT 2023 , Edited by admin on Sat Dec 16 19:05:07 GMT 2023
PRIMARY
CAS
13201-14-4
Created by admin on Sat Dec 16 19:05:07 GMT 2023 , Edited by admin on Sat Dec 16 19:05:07 GMT 2023
PRIMARY
FDA UNII
ZYL5IKR83R
Created by admin on Sat Dec 16 19:05:07 GMT 2023 , Edited by admin on Sat Dec 16 19:05:07 GMT 2023
PRIMARY