Cauloside C (3-Glu(1-2)Ara Hederagenin) (NMR)
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003703
Dataset description:
This MassBank record with Accession MSBNK-BS-BS003703 contains the MS2 mass spectrum of Cauloside C (3-Glu(1-2)Ara Hederagenin) (NMR) with the InChIkey RROGHRHLBLVQSG-UUWFFIQNSA-N.
Chemical Info
| InChI | InChI=1S/C41H66O13/c1-36(2)13-15-41(35(49)50)16-14-39(5)21(22(41)17-36)7-8-26-37(3)11-10-27(38(4,20-43)25(37)9-12-40(26,39)6)53-34-32(28(45)23(44)19-51-34)54-33-31(48)30(47)29(46)24(18-42)52-33/h7,22-34,42-48H,8-20H2,1-6H3,(H,49,50)/t22-,23-,24+,25+,26+,27-,28-,29+,30-,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1 |
|---|---|
| SMILES | C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O |
| InChI Key | RROGHRHLBLVQSG-UUWFFIQNSA-N |
| Molecular Formula | C41H66O13 |
| Exact Mass | 766.450 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-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | 2c8c8563-dc26-4ce3-8a2f-b6e6323e46d2 |
| Package id | msbnk-bs-bs003703 |
| Resource type | HTML |
| State | active |