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Solasodine base + 2H, 2O, 1Acetyl, O-Hex-Hex-Hex-Pen

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR310728

Dataset description:

This MassBank record with Accession MSBNK-RIKEN-PR310728 contains the MS2 mass spectrum of Solasodine base + 2H, 2O, 1Acetyl, O-Hex-Hex-Hex-Pen with the InChIkey PLWATUDVSHFEQM-UHFFFAOYSA-N.

Source: Solasodine base + 2H, 2O, 1Acetyl, O-Hex-Hex-Hex-Pen

Chemical Info

molecular Image

InChI	InChI=1S/C52H85NO24/c1-19-14-53-44-20(2)32-28(77-52(44,67)45(19)69-21(3)57)13-26-24-7-6-22-12-23(8-10-50(22,4)25(24)9-11-51(26,32)5)70-47-40(66)37(63)41(31(17-56)73-47)74-49-43(76-48-39(65)36(62)34(60)29(15-54)71-48)42(35(61)30(16-55)72-49)75-46-38(64)33(59)27(58)18-68-46/h19-20,22-49,53-56,58-67H,6-18H2,1-5H3
SMILES	O=C(OC1C(C)CNC2C(C)C9C(OC12(O))CC8C%10CCC7CC(OC6OC(CO)C(OC5OC(CO)C(O)C(OC3OCC(O)C(O)C3(O))C5(OC4OC(CO)C(O)C(O)C4(O)))C(O)C6(O))CCC7(C)C%10(CCC89(C)))C
InChI Key	PLWATUDVSHFEQM-UHFFFAOYSA-N
Molecular Formula	C52H85NO24
Exact Mass	1108.235 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	1684fea0-2835-41f0-ad5e-87abee9d2d81
Package id	msbnk-riken-pr310728
Resource type	HTML
State	active