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

*Links on SpectraBase are not permalinks.
4N-Cyclopenta[4,5]pyrano[3,2-c][1]benzopyran-11(1H)-one, 2,3,3a,3b,9b,11a-hexahydro-7-methoxy-11a-methyl-, (3a.alpha.,3b.beta.,9b.beta.,11a.alpha.)-(.+-.)-
SpectraBase Compound ID 2PiE6XxX4pA
InChI InChI=1S/C17H20O4/c1-17-7-3-4-13(17)12-9-20-14-8-10(19-2)5-6-11(14)15(12)21-16(17)18/h5-6,8,12-13,15H,3-4,7,9H2,1-2H3/t12-,13+,15-,17+/m0/s1
InChIKey HKUOBZUDUWPQIR-UICACZKSSA-N
Mol Weight 288.34 g/mol
Molecular Formula C17H20O4
Exact Mass 288.136159 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 GQXTQ1IZfxc
Name 4N-Cyclopenta[4,5]pyrano[3,2-c][1]benzopyran-11(1H)-one, 2,3,3a,3b,9b,11a-hexahydro-7-methoxy-11a-methyl-, (3a.alpha.,3b.beta.,9b.beta.,11a.alpha.)-(.+-.)-
CAS Registry Number 70433-40-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O4
InChI InChI=1S/C17H20O4/c1-17-7-3-4-13(17)12-9-20-14-8-10(19-2)5-6-11(14)15(12)21-16(17)18/h5-6,8,12-13,15H,3-4,7,9H2,1-2H3/t12-,13+,15-,17+/m0/s1
InChIKey HKUOBZUDUWPQIR-UICACZKSSA-N
Molecular Weight 288.343 g/mol
SMILES [C@@]12(OC(=O)[C@]3([C@@]([C@@]2(COc2c1ccc(OC)c2)[H])(CCC3)[H])C)[H]
SPLASH splash10-03di-2920000000-565e2bb3934bf31ded05
Source of Spectrum B-32-377-0
Synonyms (3aR,3bR,9bR,11aR)-7-methoxy-11a-methyl-2,3,3a,3b,9b,11a-hexahydro-4H-cyclopenta[4,5]pyrano[3,2-c]chromen-11(1H)-one (cis-13,14)-3-methoxy-6,11-dioxa-9.beta.,13.epsilon.,14.epsilon.-Estra-1,3,5(10)-trien-12-one
Wiley ID 1291809