U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C42H59O12P
Molecular Weight 786.8844
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DI-HYDROCORTISONE PHOSPHATE

SMILES

C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COP(O)(=O)OCC(=O)[C@@]5(O)CC[C@H]6[C@@H]7CCC8=CC(=O)CC[C@]8(C)[C@H]7[C@@H](O)C[C@]56C

InChI

InChIKey=HMMOXJPVUJGICF-QVSAGJHQSA-N
InChI=1S/C42H59O12P/c1-37-13-9-25(43)17-23(37)5-7-27-29-11-15-41(49,39(29,3)19-31(45)35(27)37)33(47)21-53-55(51,52)54-22-34(48)42(50)16-12-30-28-8-6-24-18-26(44)10-14-38(24,2)36(28)32(46)20-40(30,42)4/h17-18,27-32,35-36,45-46,49-50H,5-16,19-22H2,1-4H3,(H,51,52)/t27-,28-,29-,30-,31-,32-,35+,36+,37-,38-,39-,40-,41-,42-/m0/s1

HIDE SMILES / InChI

Molecular Formula C42H59O12P
Molecular Weight 786.8844
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 14 / 14
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
4A78231F9N
Record Status Validated (UNII)
Record Version