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3-GluA Soyasapogenol B (NMR)

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS001109

Dataset description:

This MassBank record with Accession MSBNK-BS-BS001109 contains the MS mass spectrum of 3-GluA Soyasapogenol B (NMR) with the InChIkey NARQRJFIZNOSJV-JMMGJMLBSA-N.

Source: 3-GluA Soyasapogenol B (NMR)

Chemical Info

molecular Image

InChI	InChI=1S/C36H58O9/c1-31(2)16-20-19-8-9-22-33(4)12-11-24(44-30-27(41)25(39)26(40)28(45-30)29(42)43)34(5,18-37)21(33)10-13-36(22,7)35(19,6)15-14-32(20,3)23(38)17-31/h8,20-28,30,37-41H,9-18H2,1-7H3,(H,42,43)/t20-,21?,22?,23+,24-,25-,26-,27+,28-,30+,32+,33-,34+,35+,36+/m0/s1
SMILES	C1[C@@H]([C@@](C2[C@](C1)(C3[C@@](CC2)([C@]4(C(=CC3)[C@]5([C@@](CC4)([C@@H](CC(C5)(C)C)O)C)[H])C)C)C)(CO)C)O[C@@H]6O[C@@H]([C@H]([C@@H]([C@H]6O)O)O)C(O)=O
InChI Key	NARQRJFIZNOSJV-JMMGJMLBSA-N
Molecular Formula	C36H58O9
Exact Mass	634.408 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	90ff18b0-4974-429b-9834-0e38739b9672
Package id	msbnk-bs-bs001109
Resource type	HTML
State	active