(1S,3S,4S,5aS,9S,9aR)-N-(3,4-Dihydro-7-hydroxy-2,4-dioxo-2H-1,3-benzoxazin-8-yl)-1,4,5,8,9,9a-hexahydro-3,9-dimethyl-8-oxo-3H-1,4:3,5a-dimethano-2-benzoxepin-9-propanamide

CAS Registry Number®

1100821-43-9

CAS Name

(1S,3S,4S,5aS,9S,9aR)-N-(3,4-Dihydro-7-hydroxy-2,4-dioxo-2H-1,3-benzoxazin-8-yl)-1,4,5,8,9,9a-hexahydro-3,9-dimethyl-8-oxo-3H-1,4:3,5a-dimethano-2-benzoxepin-9-propanamide

Molecular Formula

C25H26N2O7

Molecular Mass

466.48

Cite this Page

(1S,3S,4S,5aS,9S,9aR)-N-(3,4-Dihydro-7-hydroxy-2,4-dioxo-2H-1,3-benzoxazin-8-yl)-1,4,5,8,9,9a-hexahydro-3,9-dimethyl-8-oxo-3H-1,4:3,5a-dimethano-2-benzoxepin-9-propanamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1100821-43-9 (retrieved 2024-11-14) (CAS RN: 1100821-43-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H26N2O7/c1-23(16(29)5-8-25-10-12-9-15(20(23)25)34-24(12,2)11-25)7-6-17(30)26-18-14(28)4-3-13-19(18)33-22(32)27-21(13)31/h3-5,8,12,15,20,28H,6-7,9-11H2,1-2H3,(H,26,30)(H,27,31,32)/t12-,15+,20+,23-,24+,25+/m1/s1

InChIKey

InChIKey=QPYJCWMWYJIYBV-YURBTCIXSA-N

SMILES

C(CC(NC1=C2C(=CC=C1O)C(=O)NC(=O)O2)=O)[C@@]3(C)[C@]4([C@@]5(C[C@]6(C)O[C@]4(C[C@@]6(C5)[H])[H])C=CC3=O)[H]

Canonical SMILES

O=C1OC=2C(=CC=C(O)C2NC(=O)CCC3(C(=O)C=CC45CC6CC(OC6(C)C4)C53)C)C(=O)N1

Other Names for this Substance

  • 3H-1,4:3,5a-Dimethano-2-benzoxepin-9-propanamide, N-(3,4-dihydro-7-hydroxy-2,4-dioxo-2H-1,3-benzoxazin-8-yl)-1,4,5,8,9,9a-hexahydro-3,9-dimethyl-8-oxo-, (1S,3S,4S,5aS,9S,9aR)-
  • (1S,3S,4S,5aS,9S,9aR)-N-(3,4-Dihydro-7-hydroxy-2,4-dioxo-2H-1,3-benzoxazin-8-yl)-1,4,5,8,9,9a-hexahydro-3,9-dimethyl-8-oxo-3H-1,4:3,5a-dimethano-2-benzoxepin-9-propanamide
  • Platensimycin B2

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles