![6.beta.,18-Di[(S)-methoxyphenyl acetate]cassan-13,15-diene](/api/spectrum/I80y9x8qtJu/structure.png?h=300&w=458 "6.beta.,18-Di[(S)-methoxyphenyl acetate]cassan-13,15-diene")
| SpectraBase Compound ID | GclygH179IT |
|---|---|
| InChI | InChI=1S/C38H48O6/c1-7-28-13-18-32-31(25(28)2)23-33(44-35(40)22-27-11-16-30(42-6)17-12-27)36-37(3,19-8-20-38(32,36)4)24-43-34(39)21-26-9-14-29(41-5)15-10-26/h7,9-12,14-17,31-33,36H,1,8,13,18-24H2,2-6H3/t31-,32-,33-,36-,37+,38+/m0/s1 |
| InChIKey | BXMKFYAMSIQJLG-YCLWBWHUSA-N |
| Mol Weight | 600.8 g/mol |
| Molecular Formula | C38H48O6 |
| Exact Mass | 600.345089 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | I80y9x8qtJu |
|---|---|
| Name | 6.beta.,18-Di[(S)-methoxyphenyl acetate]cassan-13,15-diene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H48O6 |
| InChI | InChI=1S/C38H48O6/c1-7-28-13-18-32-31(25(28)2)23-33(44-35(40)22-27-11-16-30(42-6)17-12-27)36-37(3,19-8-20-38(32,36)4)24-43-34(39)21-26-9-14-29(41-5)15-10-26/h7,9-12,14-17,31-33,36H,1,8,13,18-24H2,2-6H3/t31-,32-,33-,36-,37+,38+/m0/s1 |
| InChIKey | BXMKFYAMSIQJLG-YCLWBWHUSA-N |
| Instrument Name | LRMS |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np049890c |
| Molecular Weight | 600.796 g/mol |
| Optical Rotation | [a]D24 = -29.6 (c = 0.5, CHCl3) |
| SMILES | C1C[C@]2([C@]([C@](C1)(COC(=O)Cc1ccc(cc1)OC)C)([C@](C[C@@]1([C@@]2(CCC(=C1C)C=C)[H])[H])(OC(Cc1ccc(cc1)OC)=O)[H])[H])C |
| SPLASH | splash10-00xr-0960200000-03df4503d8e2f18ff2b6 |
| Source of Spectrum | G4-67-1715-1715-2 |
| Wiley ID | 1881559 |