Abietic acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00381
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML00381 contains the MS2 mass spectrum of Abietic acid with the InChIkey RSWGJHLUYNHPMX-ONCXSQPRSA-N.
Source: Abietic acid
Chemical Info
| InChI | InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1 |
|---|---|
| SMILES | CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)O)C |
| InChI Key | RSWGJHLUYNHPMX-ONCXSQPRSA-N |
| Molecular Formula | C20H30O2 |
| Exact Mass | 302.225 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 | 0fb0917d-c0fe-4da5-9d65-93740ddbb0d8 |
| Package id | msbnk-washington_state_univ-bml00381 |
| Resource type | HTML |
| State | active |