Go to resource

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

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR308988

Dataset description:

This MassBank record with Accession MSBNK-RIKEN-PR308988 contains the MS2 mass spectrum of Furostane base -2H + 1O, O-Hex, O-Pen-Pen-dHex with the InChIkey GWOZWWNUSXSLBU-UHFFFAOYSA-N.

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

Chemical Info

molecular Image

InChI	InChI=1S/C49H80O22/c1-19(16-63-43-39(60)37(58)35(56)30(15-50)67-43)8-11-49(62)20(2)32-29(71-49)14-26-24-7-6-22-12-23(51)13-31(48(22,5)25(24)9-10-47(26,32)4)68-46-42(70-45-40(61)36(57)33(54)21(3)66-45)41(28(53)18-65-46)69-44-38(59)34(55)27(52)17-64-44/h6,19-21,23-46,50-62H,7-18H2,1-5H3
SMILES	OCC9OC(OCC(C)CCC7(O)(OC6CC5C8CC=C4CC(O)CC(OC3OCC(O)C(OC1OCC(O)C(O)C1(O))C3(OC2OC(C)C(O)C(O)C2(O)))C4(C)C8(CCC5(C)C6C7(C))))C(O)C(O)C9(O)
InChI Key	GWOZWWNUSXSLBU-UHFFFAOYSA-N
Molecular Formula	C49H80O22
Exact Mass	1021.157 g/mol

There are no views created for this resource yet.

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	ad648606-46fa-4f25-8873-c31549108949
Package id	msbnk-riken-pr308988
Resource type	HTML
State	active