Chemical identity

Androsta-3,5-dien-17-one

CAS 1912-63-6 · C19H26O

01Identity

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

Lazychem IDLC-04488
PubChem CID15383327
NameAndrosta-3,5-dien-17-one
CAS RN1912-63-6
Molecular formulaC19H26O
Molecular weight270.42 g/mol
IUPAC name(8R,9S,10R,13S,14S)-10,13-dimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17(2H)-one
InChIKeyNINLAYUXSUKKHW-QAGGRKNESA-N

02Structure identifiers

2D structurePubChem CID 15383327
2D structure: Androsta-3,5-dien-17-one, CAS 1912-63-6
Structure of Androsta-3,5-dien-17-one (CAS 1912-63-6). LazyChem record. Source identity: PubChem CID 15383327. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC19H26O
InChIKeyNINLAYUXSUKKHW-QAGGRKNESA-N
Ring count4
Defined stereocentres5
Unassigned stereocentres0
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CCC=C4)C
InChIInChI=1S/C19H26O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h3,5-6,14-16H,4,7-12H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1

03Stereochemistry

The published structure contains 5 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres52D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 32Before 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 1912-63-6 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 1912-63-6 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Abiraterone

View API and impurity family

Other names

  • Abiraterone Impurity 23
  • (8R,9S,10R,13S,14S)-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-one
  • 3,5-Androstandien-17-one
  • 3,5-androstadien-17-one
  • NINLAYUXSUKKHW-QAGGRKNESA-N
  • (8R,9S,10R,13S,14S)-10,13-dimethyl-1,2,7,8,9,10,11,12,13,14,15,16-dodecahydro-17H-cyclopenta[a]phenanthren-17-one

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