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(3S,7aS,13aR,15bR)-11-methoxy-4,4,7a,10,10,13a,15b-heptamethyl-2,3,4,4a,5,7,7a,8,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-1H-cyclohepta[1,2-a:5,4-a']dinaphthalen-3-yl acetate

View entire compound with spectra: 1 MS (GC)

(3S,7aS,13aR,15bR)-11-methoxy-4,4,7a,10,10,13a,15b-heptamethyl-2,3,4,4a,5,7,7a,8,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-1H-cyclohepta[1,2-a:5,4-a']dinaphthalen-3-yl acetate
SpectraBase Compound ID 4QvfMCMGvJL
InChI InChI=1S/C33H54O3/c1-21(34)36-28-16-18-32(7)23-11-13-26-31(6,20-22(23)10-12-24(32)30(28,4)5)17-14-25-29(2,3)27(35-9)15-19-33(25,26)8/h10,23-28H,11-20H2,1-9H3/t23?,24?,25?,26?,27?,28-,31-,32+,33-/m0/s1
InChIKey SUFSTXHWPMIZLJ-PUMKAGLNSA-N
Mol Weight 498.8 g/mol
Molecular Formula C33H54O3
Exact Mass 498.407296 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 12QW4ecGatW
Name (3S,7aS,13aR,15bR)-11-methoxy-4,4,7a,10,10,13a,15b-heptamethyl-2,3,4,4a,5,7,7a,8,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-1H-cyclohepta[1,2-a:5,4-a']dinaphthalen-3-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H54O3
InChI InChI=1S/C33H54O3/c1-21(34)36-28-16-18-32(7)23-11-13-26-31(6,20-22(23)10-12-24(32)30(28,4)5)17-14-25-29(2,3)27(35-9)15-19-33(25,26)8/h10,23-28H,11-20H2,1-9H3/t23?,24?,25?,26?,27?,28-,31-,32+,33-/m0/s1
InChIKey SUFSTXHWPMIZLJ-PUMKAGLNSA-N
Molecular Weight 498.792 g/mol
SMILES C1C(C(C2[C@](C1)(C1[C@@](CC2)(CC=2C(CC1)[C@@]1(C(CC2)C([C@](CC1)(OC(C)=O)[H])(C)C)C)C)C)(C)C)OC
SPLASH splash10-053i-3940100000-416e8d594b10e139c1f4
Source of Spectrum Claude Le Milbeau, et al. Organic Geochemistry, V. 55, 2013, P.45-54
Wiley ID 1817502