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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H38O8
Molecular Weight 478.5751
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17.ALPHA.-ETHYNYL-5.ALPHA.-ESTRANE-3.ALPHA.,17.BETA.-DIOL-3-GLUCURONIDE

SMILES

[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@@]4([H])C[C@@H](CC[C@]34[H])O[C@]5([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O

InChI

InChIKey=PBDWQQNKJZGOEK-WVDNKDKNSA-N
InChI=1S/C26H38O8/c1-3-26(32)11-9-18-17-6-4-13-12-14(5-7-15(13)16(17)8-10-25(18,26)2)33-24-21(29)19(27)20(28)22(34-24)23(30)31/h1,13-22,24,27-29,32H,4-12H2,2H3,(H,30,31)/t13-,14+,15-,16+,17+,18-,19-,20-,21+,22-,24+,25-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H38O8
Molecular Weight 478.5751
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 13 / 13
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:53:50 GMT 2023
Edited
by admin
on Sat Dec 16 18:53:50 GMT 2023
Record UNII
75944LCG8E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
17.ALPHA.-ETHYNYL-5.ALPHA.-ESTRANE-3.ALPHA.,17.BETA.-DIOL-3-GLUCURONIDE
Common Name English
3.ALPHA.,5.ALPHA.-TETRAHYDRONORETHINDRONE GLUCURONIDE
Common Name English
Code System Code Type Description
PUBCHEM
156613776
Created by admin on Sat Dec 16 18:53:50 GMT 2023 , Edited by admin on Sat Dec 16 18:53:50 GMT 2023
PRIMARY
FDA UNII
75944LCG8E
Created by admin on Sat Dec 16 18:53:50 GMT 2023 , Edited by admin on Sat Dec 16 18:53:50 GMT 2023
PRIMARY
Related Record Type Details
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