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CASEAMEMBrIN-B;REL-(2S,5R,6R,8S,9S,10R,18S,19R)-19-ACETOXY-18,19-EPOXY-6-HYDROXY-18-METHOXY-2-(2-METHYLBUTANOYLOXY)-ClERODA-3,13-(16),14-TRIENE

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CASEAMEMBrIN-B;REL-(2S,5R,6R,8S,9S,10R,18S,19R)-19-ACETOXY-18,19-EPOXY-6-HYDROXY-18-METHOXY-2-(2-METHYLBUTANOYLOXY)-ClERODA-3,13-(16),14-TRIENE
SpectraBase Compound ID FslkNzUncDo
InChI InChI=1S/C28H42O7/c1-9-16(3)11-12-27(7)18(5)13-23(30)28-21(25(32-8)35-26(28)33-19(6)29)14-20(15-22(27)28)34-24(31)17(4)10-2/h9,14,17-18,20,22-23,25-26,30H,1,3,10-13,15H2,2,4-8H3/t17?,18-,20+,22+,23+,25+,26-,27-,28-/m0/s1
InChIKey RGZKHYXCYJSLDP-YSUIGKFQSA-N
Mol Weight 490.6 g/mol
Molecular Formula C28H42O7
Exact Mass 490.293054 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GGK5IrvHlR4
Name CASEAMEMBrIN-B;REL-(2S,5R,6R,8S,9S,10R,18S,19R)-19-ACETOXY-18,19-EPOXY-6-HYDROXY-18-METHOXY-2-(2-METHYLBUTANOYLOXY)-ClERODA-3,13-(16),14-TRIENE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H42O7
InChI InChI=1S/C28H42O7/c1-9-16(3)11-12-27(7)18(5)13-23(30)28-21(25(32-8)35-26(28)33-19(6)29)14-20(15-22(27)28)34-24(31)17(4)10-2/h9,14,17-18,20,22-23,25-26,30H,1,3,10-13,15H2,2,4-8H3/t17?,18-,20+,22+,23+,25+,26-,27-,28-/m0/s1
InChIKey RGZKHYXCYJSLDP-YSUIGKFQSA-N
Literature Reference Author Y.C.SHEN,C.H.WANG,Y.B.CHENG,L.T.WANG,J.H.GUH,C.T.CHIEN,A.T.K HALIL
Literature Reference Citation J.NAT.PROD.,67,316(2004)
Literature Reference DOI 10.1021/np0303658
Molecular Weight 490.637 g/mol
Solvent CDCl3
Source File Reference UWKP4056