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Corosolic acid

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003188

Dataset description:

This MassBank record with Accession MSBNK-BS-BS003188 contains the MS mass spectrum of Corosolic acid with the InChIkey HFGSQOYIOKBQOW-ZSDYHTTISA-N.

Source: Corosolic acid; LC-ESI-QTOF; MS; CE:10 eV; [M-H]-

Chemical Info

molecular Image

InChI	InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
SMILES	C([C@]1([H])C(C([C@@]2(C(C([C@@]3(C(=C(C([C@@]4([H])[C@]3(C(C([C@]5([H])[C@@]4(C([C@]([H])([C@@]([H])(C5(C([H])([H])[H])C([H])([H])[H])O[H])O[H])([H])[H])C([H])([H])[H])([H])[H])([H])[H])C([H])([H])[H])([H])[H])[H])[C@]2([H])[C@@]1([H])C([H])([H])[H])C([H])([H])[H])([H])[H])([H])[H])C(=O)O[H])([H])[H])([H])[H])([H])([H])[H]
InChI Key	HFGSQOYIOKBQOW-ZSDYHTTISA-N
Exact Mass	472.355 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	8e642bf1-674a-4f8f-a821-49338c617ab3
Package id	msbnk-bs-bs003188
Resource type	HTML
State	active