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

View entire compound with spectra: 1 MS (GC)

(3S,6bS,8aS,12bS,14bR)-4,4,6b,8a,9,9,12b,14b-octamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-yl acetate
SpectraBase Compound ID EzFr9aGOvqr
InChI InChI=1S/C32H52O2/c1-21(33)34-26-15-17-29(6)22-14-18-32(9)25-11-10-16-27(2,3)31(25,8)20-19-30(32,7)23(22)12-13-24(29)28(26,4)5/h12,22,24-26H,10-11,13-20H2,1-9H3/t22?,24?,25?,26-,29+,30+,31-,32-/m0/s1
InChIKey XRBQJPNDEXWGJD-NXPZRSBXSA-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 1sJtGHYX4Yj
Name (3S,6bS,8aS,12bS,14bR)-4,4,6b,8a,9,9,12b,14b-octamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-yl acetate
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Formula C32H52O2
InChI InChI=1S/C32H52O2/c1-21(33)34-26-15-17-29(6)22-14-18-32(9)25-11-10-16-27(2,3)31(25,8)20-19-30(32,7)23(22)12-13-24(29)28(26,4)5/h12,22,24-26H,10-11,13-20H2,1-9H3/t22?,24?,25?,26-,29+,30+,31-,32-/m0/s1
InChIKey XRBQJPNDEXWGJD-NXPZRSBXSA-N
Molecular Weight 468.766 g/mol
SMILES C1[C@@](C(C2[C@](C1)(C1C(=CC2)[C@@]2([C@@](CC1)(C1[C@](CC2)(C(CCC1)(C)C)C)C)C)C)(C)C)(OC(C)=O)[H]
SPLASH splash10-0f9f-0692000000-ba64beae9c1842c452e8
Source of Spectrum Marlene Lavrieux, et al. Organic Geochemistry, V. 42, 2011, P.1315-1323
Wiley ID 1817495