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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H31Cl2O8P
Molecular Weight 549.378
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 16.ALPHA.-METHYL-DICHLORISONE-17.ALPHA.-ACETATE 21-PHOSPHATE

SMILES

[H][C@@]12C[C@@H](C)[C@](OC(C)=O)(C(=O)COP(O)(O)=O)[C@@]1(C)C[C@H](Cl)[C@@]3(Cl)[C@@]2([H])CCC4=CC(=O)C=C[C@]34C

InChI

InChIKey=UIQPVQOESRNIEO-RPRRAYFGSA-N
InChI=1S/C24H31Cl2O8P/c1-13-9-18-17-6-5-15-10-16(28)7-8-21(15,3)23(17,26)19(25)11-22(18,4)24(13,34-14(2)27)20(29)12-33-35(30,31)32/h7-8,10,13,17-19H,5-6,9,11-12H2,1-4H3,(H2,30,31,32)/t13-,17+,18+,19+,21+,22+,23+,24+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
16.ALPHA.-METHYL-DICHLORISONE-17.ALPHA.-ACETATE 21-PHOSPHATE
Systematic Name English
PREGNA-1,4-DIENE-3,20-DIONE, 9,11.BETA.-DICHLORO-17,21-DIHYDROXY-16.ALPHA.-METHYL-, 17-ACETATE 21-(DIHYDROGEN PHOSPHATE)
Systematic Name English
Code System Code Type Description
FDA UNII
EB5K3DYD7C
Created by admin on Sat Dec 16 14:04:00 GMT 2023 , Edited by admin on Sat Dec 16 14:04:00 GMT 2023
PRIMARY
CAS
17651-30-8
Created by admin on Sat Dec 16 14:04:00 GMT 2023 , Edited by admin on Sat Dec 16 14:04:00 GMT 2023
PRIMARY
PUBCHEM
155804765
Created by admin on Sat Dec 16 14:04:00 GMT 2023 , Edited by admin on Sat Dec 16 14:04:00 GMT 2023
PRIMARY PUBCHEM