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] |