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object
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_id
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1x48SIVUJU8
spectrumID
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1x48SIVUJU8
cost
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specType
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262144
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NCX:43992:1
hasStructureAssignments
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properties
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analyticalTechnique
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
isFullSpectrum
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compound
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1735074081058
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20-ACETYL-INGENOL-3-DECADIENOATE
SpectraBase Compound ID EdSUSubc12V
InChI InChI=1S/C32H44O7/c1-7-8-9-10-11-12-13-14-25(34)39-29-19(2)17-31-20(3)15-24-26(30(24,5)6)23(28(31)36)16-22(18-38-21(4)33)27(35)32(29,31)37/h11-14,16-17,20,23-24,26-27,29,35,37H,7-10,15,18H2,1-6H3/t20-,23+,24-,26?,27-,29+,31+,32+/m1/s1
InChIKey SYXKKJDQNXPUSI-JRZBVHBSSA-N
Mol Weight 540.7 g/mol
Molecular Formula C32H44O7
Exact Mass 540.308704 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1x48SIVUJU8
Name 20-ACETYL-INGENOL-3-DECADIENOATE
Compound Number 550
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C32H44O7/c1-7-8-9-10-11-12-13-14-25(34)39-29-19(2)17-31-20(3)15-24-26(30(24,5)6)23(28(31)36)16-22(18-38-21(4)33)27(35)32(29,31)37/h11-14,16-17,20,23-24,26-27,29,35,37H,7-10,15,18H2,1-6H3/t20-,23+,24-,26?,27-,29+,31+,32+/m1/s1
InChIKey SYXKKJDQNXPUSI-JRZBVHBSSA-N
Literature Reference NAT.PROD.VOL.2 A.UR-RAHMAN,V.U.AHMAD
Solvent Chloroform-d
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