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Substance Name: Cholesterol isoheptylate
RN: 63019-46-5
InChIKey: XIOQQDDONZKEPI-DYQRUOQXSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C34-H58-O2

Molecular Weight

  • 498.83
 
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Names and Synonyms

Synonyms

  • 4-06-00-04007 (Beilstein Handbook Reference)
  • BRN 3176523
  • Cholest-5-en-3-ol (3-beta)-, 5-methylhexanoate
  • Cholesterol, 5-methyl-1-hexanoate

Systematic Name

  • Cholesterol isoheptylate

Registry Numbers

CAS Registry Number

  • 63019-46-5

System Generated Number

  • 0063019465

Structure Descriptors

InChI

1S/C34H58O2/c1-23(2)10-8-12-25(5)29-16-17-30-28-15-14-26-22-27(36-32(35)13-9-11-24(3)4)18-20-33(26,6)31(28)19-21-34(29,30)7/h14,23-25,27-31H,8-13,15-22H2,1-7H3/t25-,27+,28+,29-,30+,31+,33+,34-/m1/s1

InChIKey

XIOQQDDONZKEPI-DYQRUOQXSA-N

Smiles

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