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ent-12-Spongien-15-one
SpectraBase Compound ID 6fZiGeO5fYT
InChI InChI=1S/C20H30O2/c1-18(2)9-5-10-19(3)14(18)8-11-20(4)15(19)7-6-13-12-22-17(21)16(13)20/h6,14-16H,5,7-12H2,1-4H3/t14?,15?,16?,19-,20+/m1/s1
InChIKey QIVDHSGTDUDBGY-VQIOPMHJSA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HrKxHJXQLvb
Name ent-12-Spongien-15-one
Alternate Name(s) (3bS,9aR)-3b,6,6,9a-tetramethyl-3a,3b,4,5,5a,6,7,8,9,9a,9b,10-dodecahydrophenanthro[1,2-c]furan-3(1H)-one
CAS Registry Number 79191-23-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-18(2)9-5-10-19(3)14(18)8-11-20(4)15(19)7-6-13-12-22-17(21)16(13)20/h6,14-16H,5,7-12H2,1-4H3/t14?,15?,16?,19-,20+/m1/s1
InChIKey QIVDHSGTDUDBGY-VQIOPMHJSA-N
Molecular Weight 302.458 g/mol
SMILES [C@@]12(C([C@@]3(CCCC(C3CC2)(C)C)C)CC=C2C1C(OC2)=O)C
SPLASH splash10-0006-0900000000-b71b060c22d1859487ac
Source of Spectrum J-46-4857-0
Wiley ID 1305125