| SpectraBase Compound ID | LRGmDhMg5Vq |
|---|---|
| InChI | InChI=1S/C30H50O4/c1-25(17-31)15-20-19-7-8-22-27(3)11-10-23(33)28(4,18-32)21(27)9-12-30(22,6)29(19,5)14-13-26(20,2)24(34)16-25/h7,20-24,31-34H,8-18H2,1-6H3/t20?,21?,22?,23-,24+,25-,26+,27-,28+,29+,30+/m0/s1 |
| InChIKey | VEDTYRJAYMXHSG-LWCNWQSJSA-N |
| Mol Weight | 474.7 g/mol |
| Molecular Formula | C30H50O4 |
| Exact Mass | 474.37091 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FkmoznsQ9Og |
|---|---|
| Name | Abrisapogenol B |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O4 |
| InChI | InChI=1S/C30H50O4/c1-25(17-31)15-20-19-7-8-22-27(3)11-10-23(33)28(4,18-32)21(27)9-12-30(22,6)29(19,5)14-13-26(20,2)24(34)16-25/h7,20-24,31-34H,8-18H2,1-6H3/t20?,21?,22?,23-,24+,25-,26+,27-,28+,29+,30+/m0/s1 |
| InChIKey | VEDTYRJAYMXHSG-LWCNWQSJSA-N |
| Molecular Weight | 474.726 g/mol |
| SMILES | OC[C@]1(CC2C=3[C@]([C@@]4(CCC5[C@]([C@](CC[C@@]5(C4CC3)C)(O)[H])(CO)C)C)(CC[C@]2([C@@](C1)(O)[H])C)C)C |
| SPLASH | splash10-0gb9-0090100000-aa5c90544e245f4a537a |
| Source of Spectrum | E1-40-2993-7 |
| Wiley ID | 1551797 |