Identitet

6-beta-Hydroxy Cortisone

CAS 16355-28-5 · C21H28O6

01Identitet

Lazychem IDLC-03655
CAS RN16355-28-5
PubChem CID53674638
Molecular formulaC21H28O6
Molecular weight376.45 g/mol
IUPAC name(6R,8S,9S,10R,13S,14S,17R)-6,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,6,7,8,9,10,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-3,11(2H)-dione
InChIKeyBCHHPSBWEQCAPG-WTCKOWDJSA-N

02Struktur og stereokemi

2D structurePubChem CID 53674638
Two-dimensional chemical structure of 6-beta-Hydroxy Cortisone, CAS 16355-28-5
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@]12CCC(=O)C=C1[C@@H](C[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O
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

2 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.

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

Cortisone

Urenheder og beslægtede forbindelser

Navne og relationer

  • 4-PREGNEN-6-BETA, 17,21-TRIOL-3,11,20-TRIONE
  • 4-PREGNEN-6BETA,17ALPHA,21-TRIOL-3,11,20-TRIONE
  • 4-PREGNENE-6-BETA,17-ALPHA,21-TRIOL-3,11,20-TRIONE
  • 6-BETA,17-ALPHA,21-TRIHYDROXY-4-PREGNENE-3,11,20-TRIONE
  • 6-BETA-HYDROXYCORTISONE
  • 16355-28-5
  • Hydroxycortisone, 6beta-
  • NSC-15457
  • UNII-Z40D3IQ900
  • Z40D3IQ900
  • Pregn-4-ene-3,11,20-trione, 6,17,21-trihydroxy-, (6beta)-
  • Corticosterone, 11-dehydro-6beta,17-dihydroxy-

Urenheder og beslægtede forbindelser

06Kilder