(3β,4β,4′α,8α,9β,10α,13α,14β,15Z)-15-[(Formylamino)methylene]-3,3′,4,4′,5′,6′-hexahydro-3,4′,9,14,17,17-hexamethyl-16-oxobenzo[3,4]-18-norandrosta-3,5-diene-4′-carboxylic acid

CAS Registry Number®

1050405-18-9

CAS Name

(3β,4β,4′α,8α,9β,10α,13α,14β,15Z)-15-[(Formylamino)methylene]-3,3′,4,4′,5′,6′-hexahydro-3,4′,9,14,17,17-hexamethyl-16-oxobenzo[3,4]-18-norandrosta-3,5-diene-4′-carboxylic acid

Molecular Formula

C31H45NO4

Molecular Mass

495.69

Cite this Page

(3β,4β,4′α,8α,9β,10α,13α,14β,15Z)-15-[(Formylamino)methylene]-3,3′,4,4′,5′,6′-hexahydro-3,4′,9,14,17,17-hexamethyl-16-oxobenzo[3,4]-18-norandrosta-3,5-diene-4′-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1050405-18-9 (retrieved 2024-11-22) (CAS RN: 1050405-18-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H45NO4/c1-26(2)22-10-11-30(6)23(31(22,7)21(24(26)34)17-32-18-33)9-8-19-20-16-28(4,25(35)36)13-12-27(20,3)14-15-29(19,30)5/h8,17-18,20,22-23H,9-16H2,1-7H3,(H,32,33)(H,35,36)/b21-17+/t20-,22-,23-,27+,28+,29+,30+,31-/m0/s1

InChIKey

InChIKey=ZZTXYUVDEDOUDW-XYNNUCQCSA-N

SMILES

C[C@@]1\2[C@@]3([C@](C)([C@@]4(C)C(=CC3)[C@]5([C@@](C)(CC4)CC[C@](C(O)=O)(C)C5)[H])CC[C@]1(C(C)(C)C(=O)/C2=C\NC=O)[H])[H]

Canonical SMILES

O=CNC=C1C(=O)C(C)(C)C2CCC3(C)C(CC=C4C5CC(C(=O)O)(C)CCC5(C)CCC43C)C12C

Other Names for this Substance

  • Benzo[3,4]-18-norandrosta-3,5-diene-4′-carboxylic acid, 15-[(formylamino)methylene]-3,3′,4,4′,5′,6′-hexahydro-3,4′,9,14,17,17-hexamethyl-16-oxo-, (3β,4β,4′α,8α,9β,10α,13α,14β,15Z)-
  • (3β,4β,4′α,8α,9β,10α,13α,14β,15Z)-15-[(Formylamino)methylene]-3,3′,4,4′,5′,6′-hexahydro-3,4′,9,14,17,17-hexamethyl-16-oxobenzo[3,4]-18-norandrosta-3,5-diene-4′-carboxylic acid
  • Dysoxyhainanin A

CAS INSIGHTSTM
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