| SpectraBase Compound ID | 1a2zFES2PU7 |
|---|---|
| InChI | InChI=1S/C30H46O8/c1-18-12-15-22(16-13-18)23-10-8-9-11-24(34-5)25(35-6)17-14-19(2)27-20(3)26(31)28(36-7)30(33,38-27)21(4)29(32)37-23/h12-17,19-21,23-28,31,33H,8-11H2,1-7H3/b17-14+/t19-,20-,21+,23-,24-,25+,26-,27-,28+,30+/m0/s1 |
| InChIKey | VUNOOFFHHWIAAE-BQUWQYHLSA-N |
| Mol Weight | 534.7 g/mol |
| Molecular Formula | C30H46O8 |
| Exact Mass | 534.319268 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 844NXcnX65u |
|---|---|
| Name | (17S)-Desphenyl-17-(4'-methylphenyl)soraphen |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H46O8 |
| InChI | InChI=1S/C30H46O8/c1-18-12-15-22(16-13-18)23-10-8-9-11-24(34-5)25(35-6)17-14-19(2)27-20(3)26(31)28(36-7)30(33,38-27)21(4)29(32)37-23/h12-17,19-21,23-28,31,33H,8-11H2,1-7H3/b17-14+/t19-,20-,21+,23-,24-,25+,26-,27-,28+,30+/m0/s1 |
| InChIKey | VUNOOFFHHWIAAE-BQUWQYHLSA-N |
| Molecular Weight | 534.690 g/mol |
| SMILES | O[C@@]1([C@]([C@@]2(O[C@]([C@]1(C)[H])([C@](\C=C\[C@]([C@@](OC)(CCCC[C@](OC([C@]2(C)[H])=O)(c1ccc(cc1)C)[H])[H])(OC)[H])(C)[H])[H])O)(OC)[H])[H] |
| SPLASH | splash10-006t-0910000000-0fd6a0702376b2fc51f6 |
| Source of Spectrum | U-1995-814-2 |
| Synonyms | (1S,2S,3E,5R,6S,11S,14S,15R,16R,17S,18S)-15,17-dihydroxy-5,6,16-trimethoxy-2,14,18-trimethyl-11-(4-methylphenyl)-12,19-dioxabicyclo[13.3.1]nonadec-3-en-13-one (1S,2S,3E,5R,6S,11S,14S,15R,16R,17S,18S)-5,6,16-trimethoxy-2,14,18-trimethyl-11-(4-methylphenyl)-15,17-bis(oxidanyl)-12,19-dioxabicyclo[13.3.1]nonadec-3-en-13-one |
| Wiley ID | 766737 |