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3-(methoxycarbonyl)-5-hydroxy-7-pentyl-10,10-dimethyl-9-oxa-1,2,4a,10a-tetrahydrophenathrane
SpectraBase Compound ID 64sVoLcaIaB
InChI InChI=1S/C22H30O4/c1-5-6-7-8-14-11-18(23)20-16-13-15(21(24)25-4)9-10-17(16)22(2,3)26-19(20)12-14/h11-13,16-17,23H,5-10H2,1-4H3
InChIKey CCMWHLPOQSRJEP-UHFFFAOYSA-N
Mol Weight 358.48 g/mol
Molecular Formula C22H30O4
Exact Mass 358.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6R6CgBhXBjT
Name 3-(methoxycarbonyl)-5-hydroxy-7-pentyl-10,10-dimethyl-9-oxa-1,2,4a,10a-tetrahydrophenathrane
Alternate Name(s) Methyl 1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene-9-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O4
InChI InChI=1S/C22H30O4/c1-5-6-7-8-14-11-18(23)20-16-13-15(21(24)25-4)9-10-17(16)22(2,3)26-19(20)12-14/h11-13,16-17,23H,5-10H2,1-4H3
InChIKey CCMWHLPOQSRJEP-UHFFFAOYSA-N
Molecular Weight 358.478 g/mol
SMILES Oc1c2C3C=C(C(=O)OC)CCC3C(Oc2cc(c1)CCCCC)(C)C
SPLASH splash10-0006-9777000000-975d963db05fbb225b6a
Source of Spectrum CJ-1992-0-0
Wiley ID 1347308