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(2S,4aS,10aR)-2-(hydroxymethyl)-7-isopropyl-8-methoxy-4a-methyl-1-methylene-1,2,3,4,4a,9,10,10a-octahydrophenanthren-2-ol

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(2S,4aS,10aR)-2-(hydroxymethyl)-7-isopropyl-8-methoxy-4a-methyl-1-methylene-1,2,3,4,4a,9,10,10a-octahydrophenanthren-2-ol
SpectraBase Compound ID 1hmSDy0m31s
InChI InChI=1S/C21H30O3/c1-13(2)15-6-9-18-16(19(15)24-5)7-8-17-14(3)21(23,12-22)11-10-20(17,18)4/h6,9,13,17,22-23H,3,7-8,10-12H2,1-2,4-5H3/t17-,20-,21+/m0/s1
InChIKey DFGTZSSALSMTNY-DZFGPLHGSA-N
Mol Weight 330.47 g/mol
Molecular Formula C21H30O3
Exact Mass 330.219495 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9WRcdATW9xn
Name (2S,4as,10Ar)-2-(hydroxymethyl)-7-isopropyl-8-methoxy-4A-methyl-1-methylene-1,2,3,4,4A,9,10,10A-octahydrophenanthren-2-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.219494823 u
Formula C21H30O3
InChI InChI=1S/C21H30O3/c1-13(2)15-6-9-18-16(19(15)24-5)7-8-17-14(3)21(23,12-22)11-10-20(17,18)4/h6,9,13,17,22-23H,3,7-8,10-12H2,1-2,4-5H3/t17-,20-,21+/m0/s1
InChIKey DFGTZSSALSMTNY-DZFGPLHGSA-N
Molecular Weight 330.468 g/mol
SMILES [C@]12(C3=C(C(OC)=C(C=C3)C(C)C)CC[C@]1(C(=C)[C@](CC2)(O)CO)[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.816386