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Ursolic acid

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003169

Dataset description:

This MassBank record with Accession MSBNK-BS-BS003169 contains the MS2 mass spectrum of Ursolic acid with the InChIkey WCGUUGGRBIKTOS-GPOJBZKASA-N.

Source: Ursolic acid

Chemical Info

molecular Image

InChI	InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,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([C@@]([H])(C5(C([H])([H])[H])C([H])([H])[H])O[H])([H])[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	WCGUUGGRBIKTOS-GPOJBZKASA-N
Molecular Formula	C30H48O3
Exact Mass	456.360 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	782dbe7b-273e-4d96-a797-65ae4c504d44
Package id	msbnk-bs-bs003169
Resource type	HTML
State	active