Chemical identity

5-Androsten-3β-ol-17-one ethyleneketal

CAS 7745-40-6 · C21H32O3

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-03413
PubChem CID11823779
Name5-Androsten-3β-ol-17-one ethyleneketal
CAS RN7745-40-6
Molecular formulaC21H32O3
Molecular weight332.48 g/mol
IUPAC name(3S,8R,9S,10R,13S,14S)-10,13-Dimethyl-1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydrospiro[cyclopenta[a]phenanthrene-17,2'-[1,3]dioxolan]-3-ol
InChIKeySXXRMGBMPQWUTB-XSEPRYCASA-N

02Structure identifiers

2D structurePubChem CID 11823779
2D structure: 5-Androsten-3β-ol-17-one ethyleneketal, CAS 7745-40-6
Structure of 5-Androsten-3β-ol-17-one ethyleneketal (CAS 7745-40-6). LazyChem record. Source identity: PubChem CID 11823779. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC21H32O3
InChIKeySXXRMGBMPQWUTB-XSEPRYCASA-N
Ring count5
Defined stereocentres6
Unassigned stereocentres0
SMILESC[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC45OCCO5)C)O
InChIInChI=1S/C21H32O3/c1-19-8-5-15(22)13-14(19)3-4-16-17(19)6-9-20(2)18(16)7-10-21(20)23-11-12-24-21/h3,15-18,22H,4-13H2,1-2H3/t15-,16+,17-,18-,19-,20-/m0/s1

03Stereochemistry

The published structure contains 6 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres62D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 64Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESCAS 7745-40-6 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 7745-40-6 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Androsterone / Testosterone

View API and impurity family

Other names

  • 5-Androsten-3beta-ol-17-one ethyleneketal
  • (3S,8R,9S,10R,13S,14S)-10,13-dimethylspiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-ol
  • SXXRMGBMPQWUTB-XSEPRYCASA-N
  • DHEA ethylene ketal
  • orb2665336
  • (3aS,3bR,7S,9aR,9bS,11aS)-9a,11a-dimethyl-2,3,3a,3b,4,6,7,8,9,9a,9b,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-[1,3]dioxolan]-7-ol
  • 17,17-Ethylendioxyandrost-5-en-3
  • A-ol

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources