Furostane base -2H + O-Hex, O-Hex-dHex-dHex-dHex
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR308996
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR308996 contains the MS2 mass spectrum of Furostane base -2H + O-Hex, O-Hex-dHex-dHex-dHex with the InChIkey DNMXAIQCSPIIAD-UHFFFAOYSA-N.
Chemical Info
| InChI | InChI=1S/C57H94O26/c1-21(19-73-50-45(69)41(65)38(62)32(18-58)79-50)10-15-57(72)22(2)34-31(83-57)17-30-28-9-8-26-16-27(11-13-55(26,6)29(28)12-14-56(30,34)7)78-52-47(71)42(66)39(63)33(80-52)20-74-53-48(43(67)36(60)24(4)76-53)82-54-49(44(68)37(61)25(5)77-54)81-51-46(70)40(64)35(59)23(3)75-51/h8,21-25,27-54,58-72H,9-20H2,1-7H3 |
|---|---|
| SMILES | OCC%10OC(OCC(C)CCC8(O)(OC7CC6C9CC=C5CC(OC4OC(COC3OC(C)C(O)C(O)C3(OC2OC(C)C(O)C(O)C2(OC1OC(C)C(O)C(O)C1(O))))C(O)C(O)C4(O))CCC5(C)C9(CCC6(C)C7C8(C))))C(O)C(O)C%10(O) |
| InChI Key | DNMXAIQCSPIIAD-UHFFFAOYSA-N |
| Molecular Formula | C57H94O26 |
| Exact Mass | 1195.353 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 | c7e1b55e-3e46-4006-b16d-2e0e82a7cd3c |
| Package id | msbnk-riken-pr308996 |
| Resource type | HTML |
| State | active |