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Substance Name: Ergosta-2,24-dien-26-oic acid, 6,7-epoxy-1,12-dioxo-5,17,22-trihydroxy-, delta-lactone, (5-alpha,6-alpha,7-alpha,12-alpha,22S)-
RN: 59132-33-1
InChIKey: DASIIWZHZVHTSC-NAPILNLDSA-N

Classification Code

  • Reproductive Effect

Molecular Formula

  • C28-H36-O7

Molecular Weight

  • 484.585
 
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Names and Synonyms

Synonyms

  • 12-Oxodaturalactone
  • 12-Oxydaturalactone
  • BRN 1611815

Systematic Name

  • Ergosta-2,24-dien-26-oic acid, 6,7-epoxy-1,12-dioxo-5,17,22-trihydroxy-, delta-lactone, (5-alpha,6-alpha,7-alpha,12-alpha,22S)-

Registry Numbers

CAS Registry Number

  • 59132-33-1

System Generated Number

  • 0059132331

Structure Descriptors

InChI

1S/C28H36O7/c1-13-11-18(34-24(31)14(13)2)15(3)27(32)10-8-16-21-17(12-20(30)25(16,27)4)26(5)19(29)7-6-9-28(26,33)23-22(21)35-23/h6-7,15-18,21-23,32-33H,8-12H2,1-5H3/t15-,16+,17+,18+,21+,22+,23+,25-,26+,27+,28+/m1/s1

InChIKey

DASIIWZHZVHTSC-NAPILNLDSA-N

Smiles

C1C[C@@]([C@@H]([C@@H]2CC(=C(C)C(=O)O2)C)C)([C@@]2(C)[C@@H]1[C@H]1[C@H](CC2=O)[C@@]2([C@@]([C@@H]3[C@@H]1O3)(CC=CC2=O)O)C)O