Chemical identity

Cholest-5-ene-3?,4?-diol

CAS 51238-11-0 · C27H46O2

01Identity

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

Lazychem IDLC-10586
PubChem CID57315490
NameCholest-5-ene-3?,4?-diol
CAS RN51238-11-0
Molecular formulaC27H46O2
Molecular weight402.66 g/mol
IUPAC name(3R,4S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol
InChIKeyCZDKQKOAHAICSF-BAIBJHRJSA-N

02Structure identifiers

2D structurePubChem CID 57315490
2D structure: Cholest-5-ene-3?,4?-diol, CAS 51238-11-0
Structure of Cholest-5-ene-3?,4?-diol (CAS 51238-11-0). LazyChem record. Source identity: PubChem CID 57315490. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC27H46O2
InChIKeyCZDKQKOAHAICSF-BAIBJHRJSA-N
Ring count4
Defined stereocentres9
Unassigned stereocentres0
SMILESC[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H]([C@H]4O)O)C)C
InChIInChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h10,17-22,24-25,28-29H,6-9,11-16H2,1-5H3/t18-,19+,20-,21+,22+,24-,25+,26-,27-/m1/s1

03Stereochemistry

The published structure contains 9 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres92D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 512Before symmetry reduction

Published same-connectivity configurations

3 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 51238-11-0 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 51238-11-0 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Cholesterol

View API and impurity family

Other names

  • Cholesterol Impurity 15
  • (3R,4S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol

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