Chemical identity

Delta 6,7-cortisone acetate

CAS 2435-02-1 · C23H28O6

01Identity

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

Lazychem IDLC-16671
PubChem CID167995474
NameDelta 6,7-cortisone acetate
CAS RN2435-02-1
Molecular formulaC23H28O6
Molecular weight400.47 g/mol
IUPAC name2-((8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-2,3,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate
InChIKeyQDQSHYPJQHVPIE-LCLBLDJOSA-N

02Structure identifiers

2D structurePubChem CID 167995474
2D structure: Delta 6,7-cortisone acetate, CAS 2435-02-1
Structure of Delta 6,7-cortisone acetate (CAS 2435-02-1). LazyChem record. Source identity: PubChem CID 167995474. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC23H28O6
InChIKeyQDQSHYPJQHVPIE-LCLBLDJOSA-N
Ring count4
Defined stereocentres5
Unassigned stereocentres1
SMILESCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2C=CC4=CC(=O)CCC34C)C)O
InChIInChI=1S/C23H28O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h4-5,10,16-17,20,28H,6-9,11-12H2,1-3H3/t16-,17-,20+,21?,22-,23-/m0/s1

03Stereochemistry

The published structure contains 5 defined and 1 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres52D structure
Unassigned stereocentres12D structure
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 64Before 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.

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 2435-02-1 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 2435-02-1 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Cortisol; Hydrocortisone

View API and impurity family

Other names

  • 21-(Acetyloxy)-17-hydroxy-pregna-4,6-diene-3,11,20-trione

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