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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H34O6S
Molecular Weight 450.588
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,5-DIHYDRODROSPIRENONE-3-SULFATE

SMILES

[H][C@@]12C[C@]1([H])[C@@]3(CCC(=O)O3)[C@@]4(C)CC[C@@]5([H])[C@@]([H])([C@@]6([H])C[C@@]6([H])[C@@]7([H])C[C@@H](CC[C@]57C)OS(O)(=O)=O)[C@]24[H]

InChI

InChIKey=KQESAGAIEQFHRL-GKOYIKFXSA-N
InChI=1S/C24H34O6S/c1-22-6-3-12(30-31(26,27)28)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(25)29-24/h12-18,20-21H,3-11H2,1-2H3,(H,26,27,28)/t12-,13-,14+,15-,16+,17-,18+,20-,21+,22-,23+,24+/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H34O6S
Molecular Weight 450.588
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 12
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:29:40 UTC 2023
Edited
by admin
on Sat Dec 16 09:29:40 UTC 2023
Record UNII
7U9Y8CB2HM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,5-DIHYDRODROSPIRENONE-3-SULFATE
Common Name English
Code System Code Type Description
PUBCHEM
131634977
Created by admin on Sat Dec 16 09:29:40 UTC 2023 , Edited by admin on Sat Dec 16 09:29:40 UTC 2023
PRIMARY
FDA UNII
7U9Y8CB2HM
Created by admin on Sat Dec 16 09:29:40 UTC 2023 , Edited by admin on Sat Dec 16 09:29:40 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
MAJOR
PLASMA