For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1'H-Estra-1,3,5(10),9(11)-tetraeno[1,10,9,11-bcd]pyrrol-17-one, 9.alpha.,11.beta.-dihydro-3-methoxy-
SpectraBase Compound ID 1om1eNMUBj5
InChI InChI=1S/C19H23NO2/c1-19-9-15-18-12(13(19)5-6-16(19)21)4-3-10-7-11(22-2)8-14(20-15)17(10)18/h7-8,12-13,15,18,20H,3-6,9H2,1-2H3/t12?,13?,15-,18?,19?/m1/s1
InChIKey TXCMFZMCPRFQHY-ZWCHFNPTSA-N
Mol Weight 297.4 g/mol
Molecular Formula C19H23NO2
Exact Mass 297.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Lxp3IaaVTKi
Name 1'H-Estra-1,3,5(10),9(11)-tetraeno[1,10,9,11-bcd]pyrrol-17-one, 9.alpha.,11.beta.-dihydro-3-methoxy-
CAS Registry Number 13871-40-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23NO2
InChI InChI=1S/C19H23NO2/c1-19-9-15-18-12(13(19)5-6-16(19)21)4-3-10-7-11(22-2)8-14(20-15)17(10)18/h7-8,12-13,15,18,20H,3-6,9H2,1-2H3/t12?,13?,15-,18?,19?/m1/s1
InChIKey TXCMFZMCPRFQHY-ZWCHFNPTSA-N
Molecular Weight 297.398 g/mol
SMILES N1c2cc(cc3c2C2[C@]1(CC1(C(C2CC3)CCC1=O)C)[H])OC
SPLASH splash10-0002-0490000000-d63109c456bbf988ca4c
Source of Spectrum T-67-3770-0
Synonyms (4aR)-2-methoxy-5a-methyl-4a,5,5a,7,8,8a,8b,9,10,10c-decahydrobenzo[def]cyclopenta[b]carbazol-6(4H)-one 1,11.alpha.-imino-3-methoxyestra-1,3,5-trien-17-one
Wiley ID 1300303