Paclitaxel
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00948
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML00948 contains the MS2 mass spectrum of Paclitaxel with the InChIkey RCINICONZNJXQF-UHFFFAOYSA-N.
Source: Paclitaxel
Chemical Info
| InChI | InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54) |
|---|---|
| SMILES | CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C |
| InChI Key | RCINICONZNJXQF-UHFFFAOYSA-N |
| Molecular Formula | C47H51NO14 |
| Exact Mass | 853.331 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 | fc364876-b627-4707-bcb7-8f8feaff4afe |
| Package id | msbnk-washington_state_univ-bml00948 |
| Resource type | HTML |
| State | active |