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object
{15}
_id
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8kvXKThI8oH
spectrumID
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8kvXKThI8oH
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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5-BETA-CHOLESTANE-3-ALPHA,7-ALPHA,12-ALPHA,23,25-PENTOL-23-GLUCURONIDE
SpectraBase Compound ID 40hKfB56Ch2
InChI InChI=1S/C33H56O11/c1-15(10-18(14-31(2,3)42)43-30-27(39)25(37)26(38)28(44-30)29(40)41)19-6-7-20-24-21(13-23(36)33(19,20)5)32(4)9-8-17(34)11-16(32)12-22(24)35/h15-28,30,34-39,42H,6-14H2,1-5H3,(H,40,41)/t15-,16+,17-,18?,19-,20+,21+,22-,23+,24+,25+,26+,27-,28+,30-,32+,33-/m1/s1
InChIKey JPGSFBZIHYWZQB-ONJXWDOMSA-N
Mol Weight 628.8 g/mol
Molecular Formula C33H56O11
Exact Mass 628.382263 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 8kvXKThI8oH
Name 5-BETA-CHOLESTANE-3-ALPHA,7-ALPHA,12-ALPHA,23,25-PENTOL-23-GLUCURONIDE
Compound Number IV
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H56O11
InChI InChI=1S/C33H56O11/c1-15(10-18(14-31(2,3)42)43-30-27(39)25(37)26(38)28(44-30)29(40)41)19-6-7-20-24-21(13-23(36)33(19,20)5)32(4)9-8-17(34)11-16(32)12-22(24)35/h15-28,30,34-39,42H,6-14H2,1-5H3,(H,40,41)/t15-,16+,17-,18?,19-,20+,21+,22-,23+,24+,25+,26+,27-,28+,30-,32+,33-/m1/s1
InChIKey JPGSFBZIHYWZQB-ONJXWDOMSA-N
Literature Reference Author T.KURAMOTO,Y.SUEMURA,K.KIHIRA,T.HIRAOKA,T.HOSHITA
Literature Reference Citation STEROIDS,60,709(1995)
Literature Reference DOI 10.1016/0039-128x(95)00095-8
Molecular Weight 628.801 g/mol
Source File Reference UWLU73892
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