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Boswellic acid, alpha

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003142

Dataset description:

This MassBank record with Accession MSBNK-BS-BS003142 contains the MS2 mass spectrum of Boswellic acid, alpha with the InChIkey BZXULBWGROURAF-IKNLXHIFSA-N.

Source: Boswellic acid, alpha

Chemical Info

molecular Image

InChI	InChI=1S/C30H48O3/c1-25(2)14-15-26(3)16-17-28(5)19(20(26)18-25)8-9-21-27(4)12-11-23(31)30(7,24(32)33)22(27)10-13-29(21,28)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21+,22+,23+,26+,27+,28+,29+,30+/m0/s1
SMILES	C([C@@]12C(C([C@@]3(C(=C(C([C@@]4([H])[C@]3(C(C([C@]5([H])[C@@]4(C(C([C@]([H])([C@]5(C([H])([H])[H])C(=O)O[H])O[H])([H])[H])([H])[H])C([H])([H])[H])([H])[H])([H])[H])C([H])([H])[H])([H])[H])[H])[C@]1([H])C(C(C(C2([H])[H])([H])[H])(C([H])([H])[H])C([H])([H])[H])([H])[H])C([H])([H])[H])([H])[H])([H])[H])([H])([H])[H]
InChI Key	BZXULBWGROURAF-IKNLXHIFSA-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	66608592-c482-40c2-9d08-de4e6d8b62b7
Package id	msbnk-bs-bs003142
Resource type	HTML
State	active