Asiatic acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00703
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML00703 contains the MS2 mass spectrum of Asiatic acid with the InChIkey JXSVIVRDWWRQRT-UYDOISQJSA-N.
Source: Asiatic acid
Chemical Info
| InChI | InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O |
| InChI Key | JXSVIVRDWWRQRT-UYDOISQJSA-N |
| Molecular Formula | C30H48O5 |
| Exact Mass | 488.350 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 | d6c83733-7a66-4cb5-b1d0-32bd8c267ef1 |
| Package id | msbnk-washington_state_univ-bml00703 |
| Resource type | HTML |
| State | active |