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

*Links on SpectraBase are not permalinks.
16-Amino-17-methyl-16,17-seco-estra-1,3,5(10)-triene-3,17-diol
SpectraBase Compound ID byzJk5Yqaa
InChI InChI=1S/C19H29NO2/c1-12(21)19(2)9-7-16-15-6-4-14(22)11-13(15)3-5-17(16)18(19)8-10-20/h4,6,11-12,16-18,21-22H,3,5,7-10,20H2,1-2H3/t12?,16-,17-,18?,19-/m1/s1
InChIKey LLGVULJZFPGDNO-BTBDGZHKSA-N
Mol Weight 303.45 g/mol
Molecular Formula C19H29NO2
Exact Mass 303.219829 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 Lfqiq3DgNHX
Name 16-Amino-17-methyl-16,17-seco-estra-1,3,5(10)-triene-3,17-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H29NO2
InChI InChI=1S/C19H29NO2/c1-12(21)19(2)9-7-16-15-6-4-14(22)11-13(15)3-5-17(16)18(19)8-10-20/h4,6,11-12,16-18,21-22H,3,5,7-10,20H2,1-2H3/t12?,16-,17-,18?,19-/m1/s1
InChIKey LLGVULJZFPGDNO-BTBDGZHKSA-N
Molecular Weight 303.446 g/mol
SMILES Oc1ccc2c(CC[C@]3(C([C@@](C(O)C)(CC[C@]23[H])C)CCN)[H])c1
SPLASH splash10-0a4i-9060000000-f6fb04dd9115afaa50d8
Source of Spectrum Y2-70-66-6
Synonyms (4bS,7S,8aR)-8-(2-aminoethyl)-7-(1-hydroxyethyl)-7-methyl-4b,5,6,7,8,8a,9,10-octahydro-2-phenanthrenol
Wiley ID 1587463