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Methyl 15-tetrahydropyranyloxy-ent-halima-1(10),13E-dien-18-xantogenate
SpectraBase Compound ID Jg9AoeKuB1S
InChI InChI=1S/C27H44O3S2/c1-20(14-18-29-24-10-6-7-17-28-24)13-16-27(4)21(2)11-12-22-23(27)9-8-15-26(22,3)19-30-25(31)32-5/h9,14,21-22,24H,6-8,10-13,15-19H2,1-5H3/b20-14+/t21-,22+,24?,26-,27+/m1/s1
InChIKey VCQMVUOMPLRYGR-IUMMZHJUSA-N
Mol Weight 480.8 g/mol
Molecular Formula C27H44O3S2
Exact Mass 480.273188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KSs3ynUTzKH
Name Methyl 15-tetrahydropyranyloxy-ent-halima-1(10),13E-dien-18-xantogenate
Alternate Name(s) Methyl 15-Tetrahydropyranyloxy-ent-halima-1(10),13E-diene-18-dithiocarbonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O3S2
InChI InChI=1S/C27H44O3S2/c1-20(14-18-29-24-10-6-7-17-28-24)13-16-27(4)21(2)11-12-22-23(27)9-8-15-26(22,3)19-30-25(31)32-5/h9,14,21-22,24H,6-8,10-13,15-19H2,1-5H3/b20-14+/t21-,22+,24?,26-,27+/m1/s1
InChIKey VCQMVUOMPLRYGR-IUMMZHJUSA-N
Molecular Weight 480.766 g/mol
SMILES C1=2[C@@](CC\C(=C\COC3OCCCC3)C)([C@](C)(CC[C@@]1([C@](COC(=S)SC)(C)CCC2)[H])[H])C
SPLASH splash10-000i-9611000000-1774fe20e13bd9e07d1d
Source of Spectrum KC-61-11676-13
Wiley ID 1631514