| SpectraBase Compound ID | ACvjxSDmq8s |
|---|---|
| InChI | InChI=1S/C35H56O6/c1-19(2)15-27(37)40-26-11-12-32(7)23-10-13-34-18-35(34,33(23,8)25(36)17-24(32)30(26,3)4)14-9-21(34)20-16-22(39-29(20)38)28-31(5,6)41-28/h19-26,28-29,36,38H,9-18H2,1-8H3/t20-,21?,22+,23+,24-,25+,26+,28-,29?,32+,33-,34-,35-/m0/s1 |
| InChIKey | LEZNRZJCVJRZHO-JAEIODLLSA-N |
| Mol Weight | 572.8 g/mol |
| Molecular Formula | C35H56O6 |
| Exact Mass | 572.40769 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Hfa8I3aj9y7 |
|---|---|
| Name | Skimmiarepin A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H56O6 |
| InChI | InChI=1S/C35H56O6/c1-19(2)15-27(37)40-26-11-12-32(7)23-10-13-34-18-35(34,33(23,8)25(36)17-24(32)30(26,3)4)14-9-21(34)20-16-22(39-29(20)38)28-31(5,6)41-28/h19-26,28-29,36,38H,9-18H2,1-8H3/t20-,21?,22+,23+,24-,25+,26+,28-,29?,32+,33-,34-,35-/m0/s1 |
| InChIKey | LEZNRZJCVJRZHO-JAEIODLLSA-N |
| Molecular Weight | 572.827 g/mol |
| SMILES | OC1[C@](C2[C@@]34[C@@]([C@@]5([C@@](C[C@]6(C([C@@](CC[C@@]6([C@]5(CC4)[H])C)(OC(=O)CC(C)C)[H])(C)C)[H])(O)[H])C)(CC2)C3)(C[C@@](O1)([C@@]1(OC1(C)C)[H])[H])[H] |
| SPLASH | splash10-0w2i-0769330000-62bd891d650902bea0b3 |
| Source of Spectrum | AJ-61-3228-1 |
| Wiley ID | 1407900 |