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Methyl 3 - acetoxy - 3 - epi - iso - mastica - dien - ol - ate
SpectraBase Compound ID DNiskc1sQcV
InChI InChI=1S/C33H52O4/c1-21(11-10-12-22(2)29(35)36-9)24-15-19-33(8)26-13-14-27-30(4,5)28(37-23(3)34)17-18-31(27,6)25(26)16-20-32(24,33)7/h12-13,21,24-25,27-28H,10-11,14-20H2,1-9H3/b22-12+/t21-,24-,25?,27?,28-,31-,32+,33-/m1/s1
InChIKey OHTOKSVGEBKYIA-VDBNCTOLSA-N
Mol Weight 512.8 g/mol
Molecular Formula C33H52O4
Exact Mass 512.38656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EGRyj5EP37N
Name Methyl 3 - acetoxy - 3 - epi - iso - mastica - dien - ol - ate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H52O4
InChI InChI=1S/C33H52O4/c1-21(11-10-12-22(2)29(35)36-9)24-15-19-33(8)26-13-14-27-30(4,5)28(37-23(3)34)17-18-31(27,6)25(26)16-20-32(24,33)7/h12-13,21,24-25,27-28H,10-11,14-20H2,1-9H3/b22-12+/t21-,24-,25?,27?,28-,31-,32+,33-/m1/s1
InChIKey OHTOKSVGEBKYIA-VDBNCTOLSA-N
Molecular Weight 512.775 g/mol
SMILES [C@]12(C=3C([C@@]4(C(C([C@](OC(=O)C)(CC4)[H])(C)C)CC3)C)CC[C@]1([C@@]([C@@](CC\C=C\(C(=O)OC)C)(C)[H])(CC2)[H])C)C
SPLASH splash10-000i-0000920000-ce3bef93b4c05670020b
Source of Spectrum Va-0-0-0
Synonyms Methyl 3.alpha.-acteoxy-13.alpha.,14.beta.,17.beta.H, 20.alpha.H-lanosta-7,24-dien-26-oic acid, methyl ester Methyl 3.alpha.-acteoxy-13.alpha.,14.beta.,17.beta.H, 20.alpha.H-lanosta-8,24-dien-26-oic acid, methyl ester OR methyl 3-acetoxy-3-epi-mastica-dien-ol-ate OR methyl 3-acetoxy-3-epi-mastica-dien-ol-ate=methyl 3.alpha.-acteoxy-13.alpha.,14.beta.,17.beta.H, 20.alpha.H-lanosta-7,24-dien-26-oic acid, methyl ester
Wiley ID 741347