Soyasapogenol A
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR304367
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR304367 contains the MS2 mass spectrum of Soyasapogenol A with the InChIkey CDDWAYFUFNQLRZ-KJVHGCRFSA-N.
Source: Soyasapogenol A
Chemical Info
| InChI | InChI=1S/C30H50O4/c1-25(2)16-19-18-8-9-21-27(4)12-11-22(32)28(5,17-31)20(27)10-13-30(21,7)29(18,6)15-14-26(19,3)24(34)23(25)33/h8,19-24,31-34H,9-17H2,1-7H3/t19-,20+,21+,22-,23-,24+,26+,27-,28+,29+,30+/m0/s1 |
|---|---|
| SMILES | CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)[C@H](O)[C@@H]1O |
| InChI Key | CDDWAYFUFNQLRZ-KJVHGCRFSA-N |
| Molecular Formula | C30H50O4 |
| Exact Mass | 474.726 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | 868da4fe-3106-4d5f-ae1a-e72fb4a93017 |
| Package id | msbnk-riken-pr304367 |
| Resource type | HTML |
| State | active |