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Substance Name: Cholesterol-cholestanol-water adduct
RN: 75056-43-8
InChIKey: FTBUTXOSWLQPAO-BQXDPFJFSA-N

Note

  • Chemical & physical cause of atherosclerosis & gallstones; also found in tendinous xanthoma; C-C-2W is initial cpd deposited in hereditary CTX; crystals formed when more than 1mg of cholestanol.H2O in body meets cholesterol.H2O in sufficient concentration to reach solubility product of .0000001 mg/ml.

Molecular Weight

  • 811.364
 
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Names and Synonyms

Name of Substance

  • Cholesterol-cholestanol-water adduct

Synonyms

  • C-C-2W
  • Cholesterol-cholestanol dihydrate

Systematic Name

  • Cholest-5-en-3-ol (3beta)-, monohydrate, compd. with (3beta,5alpha)-cholestan-3-ol monohydrate

Registry Numbers

CAS Registry Number

  • 75056-43-8

System Generated Number

  • 0075056438

Structure Descriptors

InChI

1S/C27H48O.C27H46O.2H2O/c2*1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5;;/h18-25,28H,6-17H2,1-5H3;9,18-19,21-25,28H,6-8,10-17H2,1-5H3;2*1H2/t19-,20+,21+,22+,23-,24+,25+,26+,27-;19-,21+,22+,23-,24+,25+,26+,27-;;/m11../s1

InChIKey

FTBUTXOSWLQPAO-BQXDPFJFSA-N

Smiles

O.O.C1[C@H](O)CC=2[C@@]([C@H]3CC[C@@]4([C@H](CC[C@@H]4[C@@H]3CC2)[C@H](C)CCCC(C)C)C)(C1)C.C1[C@H]([C@@H](CCCC(C)C)C)[C@@]2([C@@H]([C@@H]3CC[C@H]4C[C@H](CC[C@@]4([C@H]3CC2)C)O)C1)C