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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H30O11
Molecular Weight 482.4777
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NEOSOLANIOL DIACETATE 9,10-EPOXIDE, (9.BETA.,10.BETA.)-

SMILES

[H][C@@]12O[C@]3([H])[C@@H]4O[C@]4(C)[C@H](C[C@]3(COC(C)=O)[C@@](C)([C@H](OC(C)=O)[C@H]1OC(C)=O)[C@]25CO5)OC(C)=O

InChI

InChIKey=OHCXESUMKXSTHK-ZHGDZHGESA-N
InChI=1S/C23H30O11/c1-10(24)28-8-22-7-14(30-11(2)25)20(5)18(34-20)19(22)33-17-15(31-12(3)26)16(32-13(4)27)21(22,6)23(17)9-29-23/h14-19H,7-9H2,1-6H3/t14-,15+,16+,17+,18-,19+,20+,21+,22+,23-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
NEOSOLANIOL DIACETATE 9,10-EPOXIDE, (9.BETA.,10.BETA.)-
Common Name English
TRICHOTHECANE-3,4,8,15-TETROL, 9,10:12,13-DIEPOXY-, TETRAACETATE, (3.ALPHA.,4.BETA.,8.ALPHA.,9.BETA.,10.BETA.)-
Common Name English
Code System Code Type Description
CAS
129851-66-7
Created by admin on Sat Dec 16 14:52:21 GMT 2023 , Edited by admin on Sat Dec 16 14:52:21 GMT 2023
PRIMARY
FDA UNII
4NBZ0H3A61
Created by admin on Sat Dec 16 14:52:21 GMT 2023 , Edited by admin on Sat Dec 16 14:52:21 GMT 2023
PRIMARY
PUBCHEM
134687487
Created by admin on Sat Dec 16 14:52:21 GMT 2023 , Edited by admin on Sat Dec 16 14:52:21 GMT 2023
PRIMARY