Identitet

Abridin

CAS 73030-56-5 · C25H36O2

01Identitet

Lazychem IDLC-04527
CAS RN73030-56-5
PubChem CID169432421
Molecular formulaC25H36O2
Molecular weight368.56 g/mol
IUPAC name(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R,E)-5-oxohex-3-en-2-yl)-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
InChIKeyCIPWTUUCAJDQRQ-CLYTXKMMSA-N

02Struktur og stereokemi

2D structurePubChem CID 169432421
Two-dimensional chemical structure of Abridin, CAS 73030-56-5
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aliphatic carbon, has 7 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres7
Ring count4
Secondary amines0
Tertiary amines0
SMILESC[C@@H](/C=C/C(=O)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
InChIIkke angivet

03Stereochemistry

The published structure contains 7 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres7Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 128Before 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.

04Status i Indien

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Navne og relationer

API og moderlægemiddel

Abridin

Urenheder og beslægtede forbindelser

Navne og relationer

  • Abridin
  • (22E)-26,27-Dinorcholesta-4,22-diene-3,24-dione
  • 26,27-Dinorcholesta-4,22-diene-3,24-dione
  • 73030-56-5

Urenheder og beslægtede forbindelser

    06Kilder