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18-Beta-glycyrrhetinic acid

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003177

Dataset description:

This MassBank record with Accession MSBNK-BS-BS003177 contains the MS2 mass spectrum of 18-Beta-glycyrrhetinic acid with the InChIkey MPDGHEJMBKOTSU-YKLVYJNSSA-N.

Source: 18-Beta-glycyrrhetinic acid

Chemical Info

molecular Image

InChI	InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
SMILES	C([C@]12C(C([C@@](C([C@@]1([H])C3=C(C(=O)C4([C@]5(C(C([C@@]([H])(C([C@]5([H])C(C([C@]4([C@@]3(C(C2([H])[H])([H])[H])C([H])([H])[H])C([H])([H])[H])([H])[H])([H])[H])(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])C(=O)O[H])([H])[H])([H])[H])([H])([H])[H]
InChI Key	MPDGHEJMBKOTSU-YKLVYJNSSA-N
Molecular Formula	C30H46O4
Exact Mass	470.340 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	f85c79dc-dc9f-4af2-bef6-8f838ff30749
Package id	msbnk-bs-bs003177
Resource type	HTML
State	active