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Furostane base -2H + 1O, O-Hex, O-Hex-dHex

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR310714

Dataset description:

This MassBank record with Accession MSBNK-RIKEN-PR310714 contains the MS2 mass spectrum of Furostane base -2H + 1O, O-Hex, O-Hex-dHex with the InChIkey MYVJSVSGFJDUAQ-UHFFFAOYSA-N.

Source: Furostane base -2H + 1O, O-Hex, O-Hex-dHex

Chemical Info

molecular Image

InChI	InChI=1S/C45H74O19/c1-18(17-58-42-39(36(54)33(51)28(16-47)61-42)63-40-37(55)34(52)31(49)20(3)59-40)8-11-45(57)19(2)30-26(64-45)14-25-23-7-6-21-12-22(48)13-29(44(21,5)24(23)9-10-43(25,30)4)62-41-38(56)35(53)32(50)27(15-46)60-41/h6,18-20,22-42,46-57H,7-17H2,1-5H3
SMILES	OCC8OC(OCC(C)CCC5(O)(OC4CC3C6CC=C2CC(O)CC(OC1OC(CO)C(O)C(O)C1(O))C2(C)C6(CCC3(C)C4C5(C))))C(OC7OC(C)C(O)C(O)C7(O))C(O)C8(O)
InChI Key	MYVJSVSGFJDUAQ-UHFFFAOYSA-N
Molecular Formula	C45H74O19
Exact Mass	919.068 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	83d4152b-d729-4863-8eb6-0a3a650250c7
Package id	msbnk-riken-pr310714
Resource type	HTML
State	active