Hederagenin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003240
Dataset description:
This MassBank record with Accession MSBNK-BS-BS003240 contains the MS mass spectrum of Hederagenin with the InChIkey PGOYMURMZNDHNS-MYPRUECHSA-N.
Source: Hederagenin
Chemical Info
| InChI | InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1 |
|---|---|
| SMILES | C([C@]12C(C([C@@]([H])([C@@]([C@]1([H])C(C([C@@]3([C@]2([H])C(C(=C4[C@]3(C(C([C@@]5([C@@]4([H])C(C(C(C5([H])[H])([H])[H])(C([H])([H])[H])C([H])([H])[H])([H])[H])C(=O)O[H])([H])[H])([H])[H])C([H])([H])[H])[H])([H])[H])C([H])([H])[H])([H])[H])([H])[H])(C([H])([H])[H])C(O[H])([H])[H])O[H])([H])[H])([H])[H])([H])([H])[H] |
| InChI Key | PGOYMURMZNDHNS-MYPRUECHSA-N |
| Molecular Formula | C30H48O4 |
| Exact Mass | 472.355 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 | 9efb4e3b-b72e-4e3e-8cb3-6030b0b48a00 |
| Package id | msbnk-bs-bs003240 |
| Resource type | HTML |
| State | active |