(1R*,3R*)-3-hydroxydolabella-4(16),7,11(12)-triene-3,13-dione - Optional[Vapor Phase IR] - Spectrum

SpectraBase Compound ID	5msOAfCtjx7
InChI	InChI=1S/C20H30O2/c1-13(2)19-16-10-9-14(3)7-6-8-15(4)17(21)11-20(16,5)12-18(19)22/h7,13,17,21H,4,6,8-12H2,1-3,5H3/b14-7+/t17-,20+/m1/s1
InChIKey	XVLUZPKWCBLGKQ-AZDFAVSGSA-N Google Search
Mol Weight	302.46 g/mol
Molecular Formula	C20H30O2
Exact Mass	302.22458 g/mol

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SpectraBase Spectrum ID	KHQMQNXlMEq
Name	(1R,3R)-3-Hydroxydolabella-4(16),7,11(12)-triene-3,13-dione
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	302.224580204 u
Formula	C20H30O2
InChI	InChI=1S/C20H30O2/c1-13(2)19-16-10-9-14(3)7-6-8-15(4)17(21)11-20(16,5)12-18(19)22/h7,13,17,21H,4,6,8-12H2,1-3,5H3/b14-7+/t17-,20+/m1/s1
InChIKey	XVLUZPKWCBLGKQ-AZDFAVSGSA-N
SMILES	[C@]1(O)(C[C@]2(C)C(CC\C(=C\CCC1=C)C)=C(C(=O)C2)C(C)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.802758