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Substance Name: Butenandt's dihydroacid
RN: 28097-22-5
InChIKey: QZFBASCDCQFEPQ-OEXLHLOQSA-N

Molecular Weight

  • 448.64
 
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Names and Synonyms

Name of Substance

  • Butenandt's dihydroacid

Synonym

  • 3-Oxo-6,7-seco-5beta-cholestane-6,7-dioic acid

Systematic Name

  • 6,7-Secocholestane-6,7-dioic acid, 3-oxo-, (5alpha)-

Registry Numbers

CAS Registry Number

  • 28097-22-5

System Generated Number

  • 0028097225

Structure Descriptors

InChI

1S/C27H44O5/c1-16(2)7-6-8-17(3)19-9-10-20-23(25(31)32)21(12-14-26(19,20)4)27(5)13-11-18(28)15-22(27)24(29)30/h16-17,19-23H,6-15H2,1-5H3,(H,29,30)(H,31,32)/t17-,19-,20+,21?,22-,23?,26-,27-/m1/s1

InChIKey

QZFBASCDCQFEPQ-OEXLHLOQSA-N

Smiles

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