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(3S,6bS,8aR,11R,12S,12bS,14bS)-4,4,6b,8a,11,12,12b,14b-octamethyl-1,2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14b-icosahydropicen-3-yl acetate

View entire compound with spectra: 1 MS (GC)

(3S,6bS,8aR,11R,12S,12bS,14bS)-4,4,6b,8a,11,12,12b,14b-octamethyl-1,2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14b-icosahydropicen-3-yl acetate
SpectraBase Compound ID 8DrHfssycH3
InChI InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)24-10-11-25-28(4,5)26(34-22(3)33)14-16-30(25,7)23(24)13-17-32(31,9)27(29)21(20)2/h20-21,25-27H,10-19H2,1-9H3/t20-,21+,25?,26+,27?,29-,30-,31-,32+/m1/s1
InChIKey GXGXUGKOSZFXNS-VRIAQTISSA-N
Mol Weight 468.8 g/mol
Molecular Formula C32H52O2
Exact Mass 468.396731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5DGA4dULp5g
Name (3S,6bS,8aR,11R,12S,12bS,14bS)-4,4,6b,8a,11,12,12b,14b-octamethyl-1,2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14b-icosahydropicen-3-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H52O2
InChI InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)24-10-11-25-28(4,5)26(34-22(3)33)14-16-30(25,7)23(24)13-17-32(31,9)27(29)21(20)2/h20-21,25-27H,10-19H2,1-9H3/t20-,21+,25?,26+,27?,29-,30-,31-,32+/m1/s1
InChIKey GXGXUGKOSZFXNS-VRIAQTISSA-N
Molecular Weight 468.766 g/mol
SMILES C1[C@@](C(C2[C@](C1)(C1=C(CC2)[C@@]2([C@@](CC1)(C1[C@@](CC2)(CC[C@]([C@@]1(C)[H])(C)[H])C)C)C)C)(C)C)(OC(C)=O)[H]
SPLASH splash10-004r-2691100000-f375dcadc0d2c876cd3d
Source of Spectrum Marlene Lavrieux, et al. Organic Geochemistry, V. 42, 2011, P.1315-1323
Wiley ID 1817484