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Furostane base -1H2O -2H + 1O, O-Hex, O-Pen-dHex

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR308971

Dataset description:

This MassBank record with Accession MSBNK-RIKEN-PR308971 contains the MS2 mass spectrum of Furostane base -1H2O -2H + 1O, O-Hex, O-Pen-dHex with the InChIkey IUJLIWQDGYFELW-UHFFFAOYSA-N.

Source: Furostane base -1H2O -2H + 1O, O-Hex, O-Pen-dHex

Chemical Info

molecular Image

InChI	InChI=1S/C44H70O17/c1-18(16-55-40-37(53)36(52)34(50)29(15-45)59-40)6-9-27-19(2)31-28(58-27)14-25-23-8-7-21-12-22(46)13-30(44(21,5)24(23)10-11-43(25,31)4)60-42-39(33(49)26(47)17-56-42)61-41-38(54)35(51)32(48)20(3)57-41/h7,18,20,22-26,28-42,45-54H,6,8-17H2,1-5H3
SMILES	OCC8OC(OCC(C)CCC=4OC5CC6C7CC=C3CC(O)CC(OC2OCC(O)C(O)C2(OC1OC(C)C(O)C(O)C1(O)))C3(C)C7(CCC6(C)(C5(C=4C))))C(O)C(O)C8(O)
InChI Key	IUJLIWQDGYFELW-UHFFFAOYSA-N
Molecular Formula	C44H70O17
Exact Mass	871.027 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	d73659e7-432d-495c-8b9d-b16694f7d7b9
Package id	msbnk-riken-pr308971
Resource type	HTML
State	active