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Furostane base + O-Hex, O-Hex-Hex-Hex

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR308993

Dataset description:

This MassBank record with Accession MSBNK-RIKEN-PR308993 contains the MS2 mass spectrum of Furostane base + O-Hex, O-Hex-Hex-Hex with the InChIkey OFEAYOYKIQKFSK-UHFFFAOYSA-N.

Source: Furostane base + O-Hex, O-Hex-Hex-Hex

Chemical Info

molecular Image

InChI	InChI=1S/C51H86O24/c1-20(19-67-45-40(63)36(59)33(56)28(15-52)69-45)7-12-51(66)21(2)32-27(75-51)14-26-24-6-5-22-13-23(8-10-49(22,3)25(24)9-11-50(26,32)4)68-46-42(65)39(62)43(31(18-55)72-46)73-48-44(38(61)35(58)30(17-54)71-48)74-47-41(64)37(60)34(57)29(16-53)70-47/h20-48,52-66H,5-19H2,1-4H3
SMILES	OCC9OC(OCC(C)CCC7(O)(OC6CC5C8CCC4CC(OC3OC(CO)C(OC2OC(CO)C(O)C(O)C2(OC1OC(CO)C(O)C(O)C1(O)))C(O)C3(O))CCC4(C)C8(CCC5(C)C6C7(C))))C(O)C(O)C9(O)
InChI Key	OFEAYOYKIQKFSK-UHFFFAOYSA-N
Molecular Formula	C51H86O24
Exact Mass	1083.225 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	08869feb-d7ad-48a5-8940-b68fd07b5f38
Package id	msbnk-riken-pr308993
Resource type	HTML
State	active