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Substance Name: Emesterone A
RN: 209673-37-0
InChIKey: WFVBCGMGZQZOAE-QJHBJTLGSA-N

Note

  • Analogue of Mer-NF8054X.

Molecular Formula

  • C28-H40-O5

Molecular Weight

  • 456.619
 
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Names and Synonyms

Results Name

  • Emesterone A

Synonym

  • Emesterone A

Systematic Name

  • 3,11-Dioxo-18,22-cycloergosta-4,6,8(14)-triene-5beta,9beta,23S-triol

Registry Numbers

CAS Registry Number

  • 209673-37-0

System Generated Number

  • 0209673370

Structure Descriptors

InChI

1S/C28H40O5/c1-15(2)16(3)24(31)19-13-26-14-23(30)28(33)22(21(26)7-6-20(26)17(19)4)9-11-27(32)12-18(29)8-10-25(27,28)5/h9,11,15-17,19-20,24,31-33H,6-8,10,12-14H2,1-5H3/t16-,17-,19-,20-,24+,25+,26?,27+,28-/m1/s1

InChIKey

WFVBCGMGZQZOAE-QJHBJTLGSA-N

Smiles

C[C@H]1[C@H]2CCC3=C4C=C[C@@]5(CC(=O)CC[C@@]5([C@@]4(C(=O)CC23C[C@H]1[C@H]([C@H](C)C(C)C)O)O)C)O