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(3S,6aR,6bR,8aR,14bR)-3-methoxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12b,13,14,14a,14b-icosahydropicene

View entire compound with spectra: 1 MS (GC)

(3S,6aR,6bR,8aR,14bR)-3-methoxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12b,13,14,14a,14b-icosahydropicene
SpectraBase Compound ID 67OVJm59GiY
InChI InChI=1S/C31H52O/c1-26(2)16-17-28(5)18-19-30(7)21(22(28)20-26)10-11-24-29(6)14-13-25(32-9)27(3,4)23(29)12-15-31(24,30)8/h20-21,23-25H,10-19H2,1-9H3/t21?,23?,24?,25-,28+,29-,30+,31+/m0/s1
InChIKey YZBNXQLCEJJXSC-VUIUBEOUSA-N
Mol Weight 440.8 g/mol
Molecular Formula C31H52O
Exact Mass 440.401816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0inJ2qtuIy
Name (3S,6aR,6bR,8aR,14bR)-3-methoxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12b,13,14,14a,14b-icosahydropicene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H52O
InChI InChI=1S/C31H52O/c1-26(2)16-17-28(5)18-19-30(7)21(22(28)20-26)10-11-24-29(6)14-13-25(32-9)27(3,4)23(29)12-15-31(24,30)8/h20-21,23-25H,10-19H2,1-9H3/t21?,23?,24?,25-,28+,29-,30+,31+/m0/s1
InChIKey YZBNXQLCEJJXSC-VUIUBEOUSA-N
Molecular Weight 440.756 g/mol
SMILES C1[C@@](C(C2[C@](C1)(C1[C@@](CC2)([C@]2(C(CC1)C=1[C@@](CC2)(CCC(C1)(C)C)C)C)C)C)(C)C)(OC)[H]
SPLASH splash10-0fri-2940000000-d181760bd4b8132b1f74
Source of Spectrum Jeremy Jacob, et al. Organic Geochemistry, V. 36, 2005, P.449-461
Wiley ID 1817469