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Substance Name: Cholesteryl octanoate
RN: 1182-42-9
InChIKey: SKLBBRQPVZDTNM-SJTWHRLHSA-N

Note

  • Used for breath tests for detection of pancreatic insufficiency in rats.

Molecular Formula

  • C35-H60-O2

Molecular Weight

  • 512.857
 
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Names and Synonyms

Name of Substance

  • Cholesteryl octanoate

Synonym

  • EINECS 214-656-2

Systematic Name

  • Cholest-5-ene-3-beta-yl octanoate

Registry Numbers

CAS Registry Number

  • 1182-42-9

System Generated Number

  • 0001182429

Structure Descriptors

InChI

1S/C35H60O2/c1-7-8-9-10-11-15-33(36)37-28-20-22-34(5)27(24-28)16-17-29-31-19-18-30(26(4)14-12-13-25(2)3)35(31,6)23-21-32(29)34/h16,25-26,28-32H,7-15,17-24H2,1-6H3/t26-,28+,29+,30-,31+,32+,34+,35-/m1/s1

InChIKey

SKLBBRQPVZDTNM-SJTWHRLHSA-N

Smiles

C=12C[C@H](CC[C@]2(C)[C@@H]2[C@H]([C@H]3[C@@](C)([C@@H]([C@@H](CCCC(C)C)C)CC3)CC2)CC1)OC(=O)CCCCCCC