DI-HYDROCORTISONE PHOSPHATE

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

Structure Search

SMILES

[H][C@@]12CC[C@](O)(C(=O)COP(O)(=O)OCC(=O)[C@@]3(O)CC[C@@]4([H])[C@]5([H])CCC6=CC(=O)CC[C@]6(C)[C@@]5([H])[C@@H](O)C[C@]34C)[C@@]1(C)C[C@H](O)[C@@]7([H])[C@@]2([H])CCC8=CC(=O)CC[C@]78C

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

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 14
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:29:53 GMT 2023` Edited by `admin` on `Sat Dec 16 08:29:53 GMT 2023`
Record UNII	4A78231F9N
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DI-HYDROCORTISONE PHOSPHATE

Common Name

English

PREGN-4-ENE-3,20-DIONE, 21,21'-(PHOSPHINICOBIS(OXY))BIS(11,17-DIHYDROXY-, (11.BETA.)-(11'.BETA.)-

Systematic Name

English

Di-hydrocortisone phosphate [WHO-DD]

Common Name

English

PREGN-4-ENE-3,20-DIONE, 11.BETA.,17,21-TRIHYDROXY-, 21,21'-(HYDROGEN PHOSPHATE)

Common Name

English

CORTISOL, 21,21'-PHOSPHATE

Common Name

English

Code System Code Type Description

CAS

20513-23-9