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SECO-COCCINIC_ACID_F;24-(E)-3,4-SECO-8-BETA-H-LANOST-4-(28),9-(11),24-TRIENE-3,26-DIOIC_ACID
SpectraBase Compound ID 2F0os0At00T
InChI InChI=1S/C30H46O4/c1-19(2)22-11-12-25-24(28(22,5)16-15-26(31)32)14-18-29(6)23(13-17-30(25,29)7)20(3)9-8-10-21(4)27(33)34/h10,14,20,22-23,25H,1,8-9,11-13,15-18H2,2-7H3,(H,31,32)(H,33,34)/b21-10+/t20-,22+,23-,25-,28+,29-,30+/m1/s1
InChIKey JGNPDWQZTUZFHK-FLBFYCMKSA-N
Mol Weight 470.7 g/mol
Molecular Formula C30H46O4
Exact Mass 470.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gx3iWVLxXTh
Name KADSURIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H46O4
InChI InChI=1S/C30H46O4/c1-19(2)22-11-12-25-24(28(22,5)16-15-26(31)32)14-18-29(6)23(13-17-30(25,29)7)20(3)9-8-10-21(4)27(33)34/h10,14,20,22-23,25H,1,8-9,11-13,15-18H2,2-7H3,(H,31,32)(H,33,34)/b21-10+/t20-,22+,23-,25-,28+,29-,30+/m1/s1
InChIKey JGNPDWQZTUZFHK-FLBFYCMKSA-N
Literature Reference Author R.T.LI,Q.B.HAN,A.H.ZHAO,H.D.SUN
Literature Reference Citation CHEM.PHARM.BULL.,51,1174(2003)
Literature Reference DOI 10.1248/cpb.51.1174
Molecular Weight 470.693 g/mol
Solvent C5D5N
Source File Reference UWLU20378