Chemical identity

Androsta-3,5,16-trien-17-ol Trifluoromethanesulfonate

CAS 154229-36-4 · C20H25F3O3S

01Identity

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

Lazychem IDLC-04487
PubChem CID10476216
NameAndrosta-3,5,16-trien-17-ol Trifluoromethanesulfonate
CAS RN154229-36-4
Molecular formulaC20H25F3O3S
Molecular weight402.47 g/mol
IUPAC name(8R,9S,10R,13S,14S)-10,13-dimethyl-2,7,8,9,10,11,12,13,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl trifluoromethanesulfonate
InChIKeyHTQBXNHYTUSZON-QAGGRKNESA-N

02Structure identifiers

2D structurePubChem CID 10476216
2D structure: Androsta-3,5,16-trien-17-ol Trifluoromethanesulfonate, CAS 154229-36-4
Structure of Androsta-3,5,16-trien-17-ol Trifluoromethanesulfonate (CAS 154229-36-4). LazyChem record. Source identity: PubChem CID 10476216. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC20H25F3O3S
InChIKeyHTQBXNHYTUSZON-QAGGRKNESA-N
Ring count4
Defined stereocentres5
Unassigned stereocentres0
SMILESC[C@]12CCC=CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4OS(=O)(=O)C(F)(F)F)C
InChIInChI=1S/C20H25F3O3S/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(19(15,2)12-10-16(14)18)26-27(24,25)20(21,22)23/h3,5-6,9,14-16H,4,7-8,10-12H2,1-2H3/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 154229-36-4 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 154229-36-4 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 22
  • [(8R,9S,10R,13S,14S)-10,13-dimethyl-2,7,8,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl] trifluoromethanesulfonate
  • androsta-3,5,16-trien-17-yl trifluoromethanesulfonate
  • DB-229822
  • androsta-3,5,16-trien-17-yl trifluoromethanesulphonate

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