methyl...
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00930
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML00930 contains the MS2 mass spectrum of methyl (2S,13bS,14aS,1R,4aR)-2-hydroxy-1,2,3,4,5,8,14,13b,14a,4a-decahydrobenz...
Chemical Info
| InChI | InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1 |
|---|---|
| SMILES | COC(=O)[C@H]1[C@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O |
| InChI Key | BLGXFZZNTVWLAY-SCYLSFHTSA-N |
| Molecular Formula | C21H26N2O3 |
| Exact Mass | 354.194 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-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | d8b987fe-d37b-4a8a-a111-f4256b1cc804 |
| Package id | msbnk-washington_state_univ-bml00930 |
| Resource type | HTML |
| State | active |