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Substance Name: Ergost-24-en-26-oic acid, 6,7-epoxy-1-oxo-5,12,17,22-tetrahydroxy-, delta-lactone, (5-alpha,6-alpha,7-alpha,12-alpha,22S)-
RN: 67191-86-0
InChIKey: XWBFXVWMDFGPAG-HGCJDKBFSA-N

Classification Code

  • Reproductive Effect

Molecular Formula

  • C28-H40-O7

Molecular Weight

  • 488.617
 
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Names and Synonyms

Synonym

  • Dihydro-daturalactone

Systematic Name

  • Ergost-24-en-26-oic acid, 6,7-epoxy-1-oxo-5,12,17,22-tetrahydroxy-, delta-lactone, (5-alpha,6-alpha,7-alpha,12-alpha,22S)-

Registry Numbers

CAS Registry Number

  • 67191-86-0

System Generated Number

  • 0067191860

Structure Descriptors

InChI

1S/C28H40O7/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/h15-18,20-23,30,32-33H,6-12H2,1-5H3/t15-,16+,17+,18+,20+,21+,22+,23+,25-,26+,27+,28+/m1/s1

InChIKey

XWBFXVWMDFGPAG-HGCJDKBFSA-N

Smiles

C1CC[C@@]2([C@@](C1=O)([C@@H]1[C@@H]([C@@H]3O[C@H]23)[C@H]2[C@@]([C@H](C1)O)([C@]([C@@H]([C@H]1OC(C(=C(C1)C)C)=O)C)(O)CC2)C)C)O