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Substance Name: Methyl 3-oxoisodeoxycholate
RN: 14772-99-7
InChIKey: CIZOGAIBGCZRCL-PXOOZVEKSA-N

Molecular Formula

  • C25-H40-O5

Molecular Weight

  • 420.586
 
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Names and Synonyms

Name of Substance

  • Methyl 3-oxoisodeoxycholate

Synonym

  • EINECS 238-839-1

Systematic Name

  • Methyl 7alpha,12alpha-dihydroxy-3-oxo-5beta-cholan-24-oate

Registry Numbers

CAS Registry Number

  • 14772-99-7

System Generated Number

  • 0014772997

Structure Descriptors

InChI

1S/C25H40O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-15,17-21,23,27-28H,5-13H2,1-4H3/t14-,15+,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1

InChIKey

CIZOGAIBGCZRCL-PXOOZVEKSA-N

Smiles

C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CCC(=O)C4)C)O)O)C