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14,15,16-Triacetoxy-15,16-epoxy-ent-cleroda-4(18),12E-diene
SpectraBase Compound ID 1hDUM1KI9Mx
InChI InChI=1S/C26H38O7/c1-15-9-8-10-21-25(15,6)13-11-16(2)26(21,7)14-12-20-22(30-17(3)27)24(32-19(5)29)33-23(20)31-18(4)28/h12,16,21-24H,1,8-11,13-14H2,2-7H3/b20-12-/t16-,21+,22-,23-,24-,25+,26+/m1/s1
InChIKey QNCNCHBOPZBLDS-DIRTWKLVSA-N
Mol Weight 462.6 g/mol
Molecular Formula C26H38O7
Exact Mass 462.261754 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EkBua5Ly882
Name 14,15,16-Triacetoxy-15,16-epoxy-ent-cleroda-4(18),12E-diene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 462.261753557 u
Formula C26H38O7
InChI InChI=1S/C26H38O7/c1-15-9-8-10-21-25(15,6)13-11-16(2)26(21,7)14-12-20-22(30-17(3)27)24(32-19(5)29)33-23(20)31-18(4)28/h12,16,21-24H,1,8-11,13-14H2,2-7H3/b20-12-/t16-,21+,22-,23-,24-,25+,26+/m1/s1
InChIKey QNCNCHBOPZBLDS-DIRTWKLVSA-N
Molecular Weight 462.583 g/mol
SMILES [C@@]1(\C([C@]([C@@](O1)(OC(=O)C)[H])(OC(=O)C)[H])=C/C[C@@]1([C@@]2([C@@](C(=C)CCC2)(C)CC[C@]1(C)[H])[H])C)(OC(=O)C)[H]