Debug Info

object
{15}
_id
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IE9skb4OAWv
spectrumID
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IE9skb4OAWv
cost
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1
specType
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262144
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analyticalTechnique
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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compound
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14-ACETOXY-15-DIHYDROXYIRPEXAN
SpectraBase Compound ID 5PI0aO9ER8Q
InChI InChI=1S/C38H66O10/c1-25(2)14-10-16-27(5)18-12-22-37(8,44)31(46-29(7)40)20-21-32(48-36-35(43)34(42)33(41)30(24-39)47-36)38(9,45)23-13-19-28(6)17-11-15-26(3)4/h14-15,18-19,30-36,39,41-45H,10-13,16-17,20-24H2,1-9H3/b27-18+,28-19+/t30-,31?,32?,33-,34+,35+,36+,37?,38?/m1/s1
InChIKey IULXNECTRWHKDM-FHSNOABGSA-N
Mol Weight 682.9 g/mol
Molecular Formula C38H66O10
Exact Mass 682.465598 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 IE9skb4OAWv
Name 14-ACETOXY-15-DIHYDROXYIRPEXAN
Compound Number 3B
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H66O10
InChI InChI=1S/C38H66O10/c1-25(2)14-10-16-27(5)18-12-22-37(8,44)31(46-29(7)40)20-21-32(48-36-35(43)34(42)33(41)30(24-39)47-36)38(9,45)23-13-19-28(6)17-11-15-26(3)4/h14-15,18-19,30-36,39,41-45H,10-13,16-17,20-24H2,1-9H3/b27-18+,28-19+/t30-,31?,32?,33-,34+,35+,36+,37?,38?/m1/s1
InChIKey IULXNECTRWHKDM-FHSNOABGSA-N
Literature Reference Author S.SILBERBORTH,G.ERKEL,T.ANKE,O.STERNER
Literature Reference Citation J.ANTIBIOTICS,53,1137(2000)
Literature Reference DOI 10.7164/antibiotics.53.1137
Molecular Weight 682.936 g/mol
Solvent CDCl3
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