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

View entire compound with spectra: 1 MS (GC)

(3S,6aR,6bR,12aR,14bR)-4,4,6a,6b,9,9,12a,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-yl acetate
SpectraBase Compound ID BPiJot0qBBD
InChI InChI=1S/C32H52O2/c1-21(33)34-26-15-18-30(7)23(28(26,4)5)14-20-32(9)25(30)12-11-24-29(6)17-10-16-27(2,3)22(29)13-19-31(24,32)8/h13,23-26H,10-12,14-20H2,1-9H3/t23?,24?,25?,26-,29-,30-,31+,32+/m0/s1
InChIKey XWFTZUFAYGHVEI-PPPIGLKNSA-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 5SXhQ86Jk3k
Name (3S,6aR,6bR,12aR,14bR)-4,4,6a,6b,9,9,12a,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H52O2
InChI InChI=1S/C32H52O2/c1-21(33)34-26-15-18-30(7)23(28(26,4)5)14-20-32(9)25(30)12-11-24-29(6)17-10-16-27(2,3)22(29)13-19-31(24,32)8/h13,23-26H,10-12,14-20H2,1-9H3/t23?,24?,25?,26-,29-,30-,31+,32+/m0/s1
InChIKey XWFTZUFAYGHVEI-PPPIGLKNSA-N
Molecular Weight 468.766 g/mol
SMILES C1[C@@](C(C2[C@](C1)(C1[C@@](CC2)([C@]2(C(CC1)[C@@]1(C(=CC2)C(CCC1)(C)C)C)C)C)C)(C)C)(OC(C)=O)[H]
SPLASH splash10-000i-2910000000-7eba6ac71045c5f5472b
Source of Spectrum Marlene Lavrieux, et al. Organic Geochemistry, V. 42, 2011, P.1315-1323
Wiley ID 1817494