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(E) ent-[(14.alpha. h)-isocopal-12-en-15-yl]-6-methyl-5-hepten-2-one ethylene acetals
SpectraBase Compound ID J5Aw2CblcRA
InChI InChI=1S/C30H50O2/c1-22(10-8-18-30(7)31-20-21-32-30)11-13-24-23(2)12-14-26-28(24,5)19-15-25-27(3,4)16-9-17-29(25,26)6/h10,12,24-26H,8-9,11,13-21H2,1-7H3/b22-10-/t24-,25+,26?,28+,29+/m1/s1
InChIKey GTPBUWCDINADMX-ZDBNRXQUSA-N
Mol Weight 442.7 g/mol
Molecular Formula C30H50O2
Exact Mass 442.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jv7gsMOWYEw
Name (E) ent-[(14.alpha. h)-isocopal-12-en-15-yl]-6-methyl-5-hepten-2-one ethylene acetals
Alternate Name(s) (E)-7-(12-isocopalen-15-yl)-6-methyl-5-hepten-2-one ethylene acetal (Z) ent-7-[(14.alpha. h)-isocopal-12-en-15-yl]-6-methyl-5-hepten-2-one ethylene acetals (14beta)-8,13-dimethyl-14-[(3Z)-3-methyl-6-(2-methyl-1,3-dioxolan-2-yl)-3-hexenyl]podocarp-12-ene (E)-ent -[(14.alpha. H)-isocopal-12-en-15-yl]- 6-methyl-5-hepten-2-one, ethylene acetal (Z)-ent -[(14.alpha. H)-isocopal-12-en-15-yl]- 6-methyl-5-hepten-2-one, ethylene acetal
CAS Registry Number 121522-12-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O2
InChI InChI=1S/C30H50O2/c1-22(10-8-18-30(7)31-20-21-32-30)11-13-24-23(2)12-14-26-28(24,5)19-15-25-27(3,4)16-9-17-29(25,26)6/h10,12,24-26H,8-9,11,13-21H2,1-7H3/b22-10-/t24-,25+,26?,28+,29+/m1/s1
InChIKey GTPBUWCDINADMX-ZDBNRXQUSA-N
Molecular Weight 442.728 g/mol
SMILES [C@]12(C([C@]3(CCCC([C@@]3(CC2)[H])(C)C)C)CC=C([C@]1(CC\C(=C/CCC1(OCCO1)C)C)[H])C)C
SPLASH splash10-000i-9410100000-6a9503dae9836c7c850d
Source of Spectrum F-44-2520-33
Wiley ID 1385613