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4H-Cyclopenta[4,5]pyrano[3,2-c][1]benzopyran, 1,2,3,3a,3b,9b,11,11a-octahydro-7-methoxy-11a-methyl-, (3a.alpha.,3b.beta.,9b.beta.,11a.alpha.)-(.+-.)-
SpectraBase Compound ID 2kmMb0JlRm0
InChI InChI=1S/C17H22O3/c1-17-7-3-4-14(17)13-9-19-15-8-11(18-2)5-6-12(15)16(13)20-10-17/h5-6,8,13-14,16H,3-4,7,9-10H2,1-2H3/t13-,14-,16-,17+/m0/s1
InChIKey HGHXXCXERIIAQY-NXNVCVFFSA-N
Mol Weight 274.36 g/mol
Molecular Formula C17H22O3
Exact Mass 274.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ccd0kMmTpB1
Name 4H-Cyclopenta[4,5]pyrano[3,2-c][1]benzopyran, 1,2,3,3a,3b,9b,11,11a-octahydro-7-methoxy-11a-methyl-, (3a.alpha.,3b.beta.,9b.beta.,11a.alpha.)-(.+-.)-
CAS Registry Number 70433-38-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O3
InChI InChI=1S/C17H22O3/c1-17-7-3-4-14(17)13-9-19-15-8-11(18-2)5-6-12(15)16(13)20-10-17/h5-6,8,13-14,16H,3-4,7,9-10H2,1-2H3/t13-,14-,16-,17+/m0/s1
InChIKey HGHXXCXERIIAQY-NXNVCVFFSA-N
Molecular Weight 274.360 g/mol
SMILES [C@]12([C@]([C@@]3(CCC[C@@]3(CO2)C)[H])(COc2c1ccc(OC)c2)[H])[H]
SPLASH splash10-0229-5960000000-c427ff60a12d16c55918
Source of Spectrum B-32-377-0
Synonyms (3aS,3bR,9bR,11aS)-11a-methyl-1,2,3,3a,3b,9b,11,11a-octahydro-4H-cyclopenta[4,5]pyrano[3,2-c]chromen-7-yl methyl ether (3aS,3bR,9bR,11aS)-7-methoxy-11a-methyl-1,2,3,3a,3b,9b,11,11a-octahydro-4H-cyclopenta[4,5]pyrano[3,2-c]chromene (cis-13,14)-3-methoxy-6,11-dioxa-9.beta.,13.epsilon.,14.epsilon.-Estre-1,3,5(10)triene
Wiley ID 1278396