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(3R,4aS,12aR)-3-Isopropenyl-8-methoxy-12a-methyl-3,4,4a,5,6,11,12,12a-octahydro-1(2H)-chrysenone
SpectraBase Compound ID KdY3HoxfYoH
InChI InChI=1S/C23H28O2/c1-14(2)16-12-21-20-7-5-15-11-17(25-4)6-8-18(15)19(20)9-10-23(21,3)22(24)13-16/h6,8,11,16,21H,1,5,7,9-10,12-13H2,2-4H3/t16-,21+,23-/m1/s1
InChIKey QVOGUSAHASBQFQ-XORNHQRDSA-N
Mol Weight 336.48 g/mol
Molecular Formula C23H28O2
Exact Mass 336.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HVtFEEAymzD
Name (3R,4aS,12aR)-3-Isopropenyl-8-methoxy-12a-methyl-3,4,4a,5,6,11,12,12a-octahydro-1(2H)-chrysenone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28O2
InChI InChI=1S/C23H28O2/c1-14(2)16-12-21-20-7-5-15-11-17(25-4)6-8-18(15)19(20)9-10-23(21,3)22(24)13-16/h6,8,11,16,21H,1,5,7,9-10,12-13H2,2-4H3/t16-,21+,23-/m1/s1
InChIKey QVOGUSAHASBQFQ-XORNHQRDSA-N
Molecular Weight 336.475 g/mol
SMILES C=12[C@]3([C@@](C(=O)C[C@@](C3)(C(=C)C)[H])(C)CCC1c1ccc(cc1CC2)OC)[H]
SPLASH splash10-002r-0079000000-a240733b0dce1ad5376a
Source of Spectrum F-59-4291-11
Wiley ID 1678109