Identità

beta-Amyrenone

CAS 638-97-1 · C30H48O

01Identità

Lazychem IDLC-08046
CAS RN638-97-1
PubChem CID12306160
Molecular formulaC30H48O
Molecular weight424.7 g/mol
IUPAC name(4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one
InChIKeyLIIFBMGUDSHTOU-CFYIDONUSA-N

02Struttura e stereochimica

2D structurePubChem CID 12306160
Two-dimensional chemical structure of beta-Amyrenone, CAS 638-97-1
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aliphatic carbon, has 7 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres7
Ring count5
Secondary amines0
Tertiary amines0
SMILESC[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)[C@@H]1CC(CC2)(C)C)C
InChINon indicato

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.

04Stato in India

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

05Nomi e relazioni

API e farmaco progenitore

Amyrenone

Impurezze e composti correlati

Nomi e relazioni

  • Beta-Amyrone
  • 638-97-1
  • (4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one
  • b-Amyrone
  • RefChem:119202
  • beta-amyrenone
  • CHEMBL461060
  • beta-Amyron
  • Beta-Amyrinone
  • SCHEMBL29984730
  • EX-A6671
  • HY-N2925

Impurezze e composti correlati

06Fonti