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Substance Name: Cholestatrienyl oleate
RN: 52664-12-7
InChIKey: WGJJNOCVHIWDHH-LOJVOCQZSA-N

Molecular Weight

  • 647.078
 
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Names and Synonyms

Name of Substance

  • Cholestatrienyl oleate

Systematic Name

  • Cholesta-5,7,9(11)-trien-3-ol, 9-octadecenoate, (3beta(Z))-

Registry Numbers

CAS Registry Number

  • 52664-12-7

System Generated Number

  • 0052664127

Structure Descriptors

InChI

1S/C45H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h14-15,26-27,31,35-36,38,40-41H,7-13,16-25,28-30,32-34H2,1-6H3/b15-14+/t36-,38+,40-,41+,44+,45-/m1/s1

InChIKey

WGJJNOCVHIWDHH-LOJVOCQZSA-N

Smiles

C1[C@@H](CC2=CC=C3[C@@H]4CC[C@@H]([C@@H](CCCC(C)C)C)[C@@]4(C)CC=C3[C@@]2(C1)C)OC(CCCCCCC\C=C\CCCCCCCC)=O