| SpectraBase Compound ID | LcRZQLIusf8 |
|---|---|
| InChI | InChI=1S/C35H48O9/c1-17(2)12-26(37)43-23-10-11-33(6)22(15-25(36)40-9)35(8)27-18(3)19(20-14-24(32(4,5)39)44-31(20)38)13-21(27)42-30(35)28-29(33)34(23,7)16-41-28/h12,14,19,21-24,28-30,39H,10-11,13,15-16H2,1-9H3/t19-,21-,22-,23-,24?,28-,29?,30-,33-,34-,35-/m1/s1 |
| InChIKey | HFIVLQCNJPKDAS-VXHRLISLSA-N |
| Mol Weight | 612.8 g/mol |
| Molecular Formula | C35H48O9 |
| Exact Mass | 612.329833 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2JmmIaFvbZJ |
|---|---|
| Name | Melianol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H48O9 |
| InChI | InChI=1S/C35H48O9/c1-17(2)12-26(37)43-23-10-11-33(6)22(15-25(36)40-9)35(8)27-18(3)19(20-14-24(32(4,5)39)44-31(20)38)13-21(27)42-30(35)28-29(33)34(23,7)16-41-28/h12,14,19,21-24,28-30,39H,10-11,13,15-16H2,1-9H3/t19-,21-,22-,23-,24?,28-,29?,30-,33-,34-,35-/m1/s1 |
| InChIKey | HFIVLQCNJPKDAS-VXHRLISLSA-N |
| Molecular Weight | 612.760 g/mol |
| SMILES | OC(C1C=C([C@]2(C(=C3[C@@]4([C@@]([C@@]5(OC[C@]6(C5[C@@]([C@]4(CC(=O)OC)[H])(CC[C@]6(OC(C=C(C)C)=O)[H])C)C)[H])(O[C@@]3(C2)[H])[H])C)C)[H])C(O1)=O)(C)C |
| SPLASH | splash10-01q9-9110006000-6325e4a079c5fb7c67cf |
| Source of Spectrum | F-57-10285-1 |
| Wiley ID | 1626794 |