Go to resource

18-Beta-glycyrrhetinic acid

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003174

Dataset description:

This MassBank record with Accession MSBNK-BS-BS003174 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

There are no views created for this resource yet.

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	3dcb24a3-2418-44a7-8b6d-828e3f13c137
Package id	msbnk-bs-bs003174
Resource type	HTML
State	active