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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H34O2
Molecular Weight 306.4828
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7.ALPHA.-METHYL-5.ALPHA.-ANDROSTANE-3.BETA.,17.BETA.-DIOL

SMILES

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

InChI

InChIKey=ABKKSPPWUYAREL-NZPOWLKHSA-N
InChI=1S/C20H34O2/c1-12-10-13-11-14(21)6-8-19(13,2)16-7-9-20(3)15(18(12)16)4-5-17(20)22/h12-18,21-22H,4-11H2,1-3H3/t12-,13+,14+,15+,16+,17+,18+,19+,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H34O2
Molecular Weight 306.4828
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:22:52 GMT 2023
Edited
by admin
on Fri Dec 15 15:22:52 GMT 2023
Record UNII
7QD8FUS26R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7.ALPHA.-METHYL-5.ALPHA.-ANDROSTANE-3.BETA.,17.BETA.-DIOL
Systematic Name English
ANDROSTANE-3,17-DIOL, 7-METHYL-, (3.BETA.,5.ALPHA.,7.ALPHA.,17.BETA.)-
Systematic Name English
5.ALPHA.-ANDROSTANE-3.BETA.,17.BETA.-DIOL, 7.ALPHA.-METHYL-
Systematic Name English
Code System Code Type Description
CAS
7642-54-8
Created by admin on Fri Dec 15 15:22:52 GMT 2023 , Edited by admin on Fri Dec 15 15:22:52 GMT 2023
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FDA UNII
7QD8FUS26R
Created by admin on Fri Dec 15 15:22:52 GMT 2023 , Edited by admin on Fri Dec 15 15:22:52 GMT 2023
PRIMARY
PUBCHEM
23618794
Created by admin on Fri Dec 15 15:22:52 GMT 2023 , Edited by admin on Fri Dec 15 15:22:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID70227247
Created by admin on Fri Dec 15 15:22:52 GMT 2023 , Edited by admin on Fri Dec 15 15:22:52 GMT 2023
PRIMARY