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

*Links on SpectraBase are not permalinks.
2H-Benz[e]inden-3-ol, 3,3a,4,5-tetrahydro-7-methoxy-3a-methyl-, acetate, (3S-cis)-
SpectraBase Compound ID 1SIu4bxOHie
InChI InChI=1S/C17H20O3/c1-11(18)20-16-7-6-15-14-5-4-13(19-3)10-12(14)8-9-17(15,16)2/h4-6,10,16H,7-9H2,1-3H3/t16-,17-/m0/s1
InChIKey QXJIJCUOGRMXMQ-IRXDYDNUSA-N
Mol Weight 272.34 g/mol
Molecular Formula C17H20O3
Exact Mass 272.141245 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 IRDwQSdOScD
Name 2H-Benz[e]inden-3-ol, 3,3a,4,5-tetrahydro-7-methoxy-3a-methyl-, acetate, (3S-cis)-
CAS Registry Number 71835-22-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O3
InChI InChI=1S/C17H20O3/c1-11(18)20-16-7-6-15-14-5-4-13(19-3)10-12(14)8-9-17(15,16)2/h4-6,10,16H,7-9H2,1-3H3/t16-,17-/m0/s1
InChIKey QXJIJCUOGRMXMQ-IRXDYDNUSA-N
Molecular Weight 272.344 g/mol
SMILES C1=2[C@@]([C@@](OC(=O)C)(CC2)[H])(CCc2c1ccc(OC)c2)C
SPLASH splash10-03di-0590000000-18c8806db6613592214c
Source of Spectrum KC-1979-1324-0
Synonyms (3S,3aS)-7-methoxy-3a-methyl-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-3-yl acetate 17.beta.-acetoxy-5-methoxy-de-a-estra-5,7,9,14-tetraene
Wiley ID 1276426