Chemical identity

24-Nor Ursodeoxycholic Acid

CAS 99697-24-2 · C23H38O4

01Identity

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

Lazychem IDLC-04340
PubChem CID192254
Name24-Nor Ursodeoxycholic Acid
CAS RN99697-24-2
Molecular formulaC23H38O4
Molecular weight378.6 g/mol
IUPAC name(R)-3-((3R,7S,8R,9S,10S,13R,14S,17R)-3,7-Dihydroxy-10,13-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)butanoic acid
InChIKeyQYYDXDSPYPOWRO-JHMCBHKWSA-N

02Structure identifiers

2D structurePubChem CID 192254
2D structure: 24-Nor Ursodeoxycholic Acid, CAS 99697-24-2
Structure of 24-Nor Ursodeoxycholic Acid (CAS 99697-24-2). LazyChem record. Source identity: PubChem CID 192254. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC23H38O4
InChIKeyQYYDXDSPYPOWRO-JHMCBHKWSA-N
Ring count4
Defined stereocentres10
Unassigned stereocentres0
SMILESC[C@H](CC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChIInChI=1S/C23H38O4/c1-13(10-20(26)27)16-4-5-17-21-18(7-9-23(16,17)3)22(2)8-6-15(24)11-14(22)12-19(21)25/h13-19,21,24-25H,4-12H2,1-3H3,(H,26,27)/t13-,14+,15-,16-,17+,18+,19+,21+,22+,23-/m1/s1

03Stereochemistry

The published structure contains 10 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres102D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 1,024Before 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.

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 99697-24-2 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 99697-24-2 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Ursodeoxycholic Acid

View API and impurity family

Other names

  • Norursodeoxycholic Acid
  • 24-nor-3alpha, 7beta-dihydroxy-5beta-cholan-23-oic acid
  • Norucholic acid

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