| SpectraBase Compound ID | KNFLvrPVOVR |
|---|---|
| InChI | InChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3/t19-,20+,21+,23+,24?,26-,29+,30-,31+/m0/s1 |
| InChIKey | OVMSOCFBDVBLFW-SSXYINQQSA-N |
| Mol Weight | 586.6 g/mol |
| Molecular Formula | C31H38O11 |
| Exact Mass | 586.241412 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3tAqkaDlZyL |
|---|---|
| Name | Baccatin V |
| CAS Registry Number | 31077-81-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H38O11 |
| InChI | InChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3/t19-,20+,21+,23+,24?,26-,29+,30-,31+/m0/s1 |
| InChIKey | OVMSOCFBDVBLFW-SSXYINQQSA-N |
| Molecular Weight | 586.634 g/mol |
| SMILES | O[C@@]1(C[C@]2(OC[C@]2(C2[C@@]([C@]3(C(C([C@](C([C@]12C)=O)(OC(=O)C)[H])=C([C@@](O)(C3)[H])C)(C)C)O)(OC(=O)c1ccccc1)[H])OC(=O)C)[H])[H] |
| SPLASH | splash10-0a4i-5900000000-6b70516a7315424432ad |
| Source of Spectrum | J-46-1474-0 |
| Wiley ID | 1409032 |