| SpectraBase Compound ID | DcIKgzrkuiK |
|---|---|
| InChI | InChI=1S/C37H54O9/c1-14-28(39)20(6)35-24(10)32(42)22(8)33(46-35)18(4)17-19(5)34(43-27(13)38)25(11)37(45-30(40)16-3)26(12)36-23(9)31(41)21(7)29(15-2)44-36/h17-18,20,25-26,28,34,37,39H,14-16H2,1-13H3/b19-17+/t18-,20+,25+,26-,28-,34-,37-/m0/s1 |
| InChIKey | QBXQIJWJWOVQLZ-SVZQJWQMSA-N |
| Mol Weight | 642.8 g/mol |
| Molecular Formula | C37H54O9 |
| Exact Mass | 642.376783 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Aud9P4SvKvd |
|---|---|
| Name | Onchitrio I C |
| CAS Registry Number | 142132-13-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H54O9 |
| InChI | InChI=1S/C37H54O9/c1-14-28(39)20(6)35-24(10)32(42)22(8)33(46-35)18(4)17-19(5)34(43-27(13)38)25(11)37(45-30(40)16-3)26(12)36-23(9)31(41)21(7)29(15-2)44-36/h17-18,20,25-26,28,34,37,39H,14-16H2,1-13H3/b19-17+/t18-,20+,25+,26-,28-,34-,37-/m0/s1 |
| InChIKey | QBXQIJWJWOVQLZ-SVZQJWQMSA-N |
| Molecular Weight | 642.830 g/mol |
| SMILES | O[C@]([C@](C=1OC([C@](\C=C\([C@@]([C@]([C@@]([C@](C2=C(C(=O)C(=C(O2)CC)C)C)(C)[H])(OC(=O)CC)[H])(C)[H])(OC(=O)C)[H])C)(C)[H])=C(C(=O)C1C)C)(C)[H])(CC)[H] |
| SPLASH | splash10-001i-0920031000-29a4912c44a52d196776 |
| Source of Spectrum | J-57-4631-7 |
| Wiley ID | 1412748 |