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

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR308973

Dataset description:

This MassBank record with Accession MSBNK-RIKEN-PR308973 contains the MS2 mass spectrum of Furostane base -2H + 1O, O-Hex, O-Pen-dHex with the InChIkey HWYCRLFVQVFKPD-UHFFFAOYSA-N.

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

Chemical Info

molecular Image

InChI	InChI=1S/C44H72O18/c1-18(16-56-39-36(53)35(52)33(50)28(15-45)59-39)8-11-44(55)19(2)30-27(62-44)14-25-23-7-6-21-12-22(46)13-29(43(21,5)24(23)9-10-42(25,30)4)60-41-38(32(49)26(47)17-57-41)61-40-37(54)34(51)31(48)20(3)58-40/h6,18-20,22-41,45-55H,7-17H2,1-5H3
SMILES	OCC8OC(OCC(C)CCC6(O)(OC5CC4C7CC=C3CC(O)CC(OC2OCC(O)C(O)C2(OC1OC(C)C(O)C(O)C1(O)))C3(C)C7(CCC4(C)C5C6(C))))C(O)C(O)C8(O)
InChI Key	HWYCRLFVQVFKPD-UHFFFAOYSA-N
Molecular Formula	C44H72O18
Exact Mass	889.042 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	e3743184-2cb7-4d16-8b92-68d07a2262e8
Package id	msbnk-riken-pr308973
Resource type	HTML
State	active