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ANGUSTANOIC_ACID-B
SpectraBase Compound ID D7no8LF4dDZ
InChI InChI=1S/C20H28O4/c1-13(2)19-10-11-20(24-23-19)14(12-19)6-7-15-17(3,16(21)22)8-5-9-18(15,20)4/h12,15H,1,5-11H2,2-4H3,(H,21,22)/t15-,17-,18-,19-,20+/m0/s1
InChIKey WMBGNPQDZHRODL-ONSCTEFMSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BBheDLmUSWE
Name Angustanoic acid B
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-13(2)19-10-11-20(24-23-19)14(12-19)6-7-15-17(3,16(21)22)8-5-9-18(15,20)4/h12,15H,1,5-11H2,2-4H3,(H,21,22)/t15-,17-,18-,19-,20+/m0/s1
InChIKey WMBGNPQDZHRODL-ONSCTEFMSA-N
Molecular Weight 332.440 g/mol
SMILES OC([C@@]1([C@]2([C@@]([C@@]34C(=C[C@@](CC4)(C(=C)C)OO3)CC2)(CCC1)C)[H])C)=O
SPLASH splash10-0udr-3069000000-78cc8817ead111f0459c
Source of Spectrum G4-61-911-4
Synonyms (1R,2S,6S,7R,12S)-12-isopropenyl-2,6-dimethyl-13,14-dioxatetracyclo[10.2.2.0(1,10).0(2,7)]hexadec-10-ene-6-carboxylic acid
Wiley ID 1607341