Chemical identity

20-Dihydrodydrogesterone (Mixture of 20-alpha and beta Isomers)

CAS 86495-64-9 · C21H30O2

01Identity

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

Lazychem IDLC-04282
PubChem CID6451883
Name20-Dihydrodydrogesterone (Mixture of 20-alpha and beta Isomers)
CAS RN86495-64-9
Molecular formulaC21H30O2
Molecular weight314.47 g/mol
IUPAC name(8S,9R,10S,13S,14S,17S)-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one
InChIKeyIQPNZLYVKOVQGH-QMEIQTAGSA-N

02Structure identifiers

2D structurePubChem CID 6451883
2D structure: 20-Dihydrodydrogesterone (Mixture of 20-alpha and beta Isomers), CAS 86495-64-9
Structure of 20-Dihydrodydrogesterone (Mixture of 20-alpha and beta Isomers) (CAS 86495-64-9). LazyChem record. Source identity: PubChem CID 6451883. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC21H30O2
InChIKeyIQPNZLYVKOVQGH-QMEIQTAGSA-N
Ring count4
Defined stereocentres6
Unassigned stereocentres1
SMILESCC([C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@H]2C=CC4=CC(=O)CC[C@@]34C)C)O
InChIInChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12-13,16-19,22H,6-11H2,1-3H3/t13?,16-,17+,18-,19+,20+,21+/m0/s1

03Stereochemistry

The published structure contains 6 defined and 1 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres62D structure
Unassigned stereocentres12D structure
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 128Before symmetry reduction

Published same-connectivity configurations

3 records

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.

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 86495-64-9 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 86495-64-9 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Dydrogesterone

View API and impurity family

Other names

  • Dydrogesterone Impurity 12

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