Dihydroergocristine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00483
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML00483 contains the MS2 mass spectrum of Dihydroergocristine with the InChIkey DEQITUUQPICUMR-UHFFFAOYSA-N.
Source: Dihydroergocristine
Chemical Info
| InChI | InChI=1S/C35H41N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41) |
|---|---|
| SMILES | CC(C)C1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C |
| InChI Key | DEQITUUQPICUMR-UHFFFAOYSA-N |
| Molecular Formula | C35H41N5O5 |
| Exact Mass | 611.311 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 | bffd321f-077a-41e9-89bb-2c56c6f60d9e |
| Package id | msbnk-washington_state_univ-bml00483 |
| Resource type | HTML |
| State | active |