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SCUTEREPENIN-A2;(4R,11S,13R)-7-BETA-CIS-CINNAMOYLOXY-4,6-ALPHA,13,18-TETRAHYDROXY-11,16:15,16-DIEPOXY-1-NEOCLERODANONE
SpectraBase Compound ID JaTm9itlqrr
InChI InChI=1S/C29H38O9/c1-17-22(38-21(32)10-9-18-7-5-4-6-8-18)24(33)27(3)23(19(31)11-12-29(27,35)16-30)26(17,2)20-15-28(34)13-14-36-25(28)37-20/h4-10,17,20,22-25,30,33-35H,11-16H2,1-3H3/b10-9-/t17-,20+,22-,23-,24+,25+,26-,27+,28+,29+/m1/s1
InChIKey SSGMCFZDCBCCCK-QGQAQWOSSA-N
Mol Weight 530.6 g/mol
Molecular Formula C29H38O9
Exact Mass 530.251583 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AndjCzKsley
Name SCUTEREPENIN-A2;(4R,11S,13R)-7-BETA-CIS-CINNAMOYLOXY-4,6-ALPHA,13,18-TETRAHYDROXY-11,16:15,16-DIEPOXY-1-NEOCLERODANONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H38O9
InChI InChI=1S/C29H38O9/c1-17-22(38-21(32)10-9-18-7-5-4-6-8-18)24(33)27(3)23(19(31)11-12-29(27,35)16-30)26(17,2)20-15-28(34)13-14-36-25(28)37-20/h4-10,17,20,22-25,30,33-35H,11-16H2,1-3H3/b10-9-/t17-,20+,22-,23-,24+,25+,26-,27+,28+,29+/m1/s1
InChIKey SSGMCFZDCBCCCK-QGQAQWOSSA-N
Literature Reference Author H.KIZU,N.SUGITA,T.TOMIMORI
Literature Reference Citation CHEM.PHARM.BULL.,46,988(1998)
Literature Reference DOI 10.1248/cpb.46.988
Molecular Weight 530.615 g/mol
Solvent CDCl3
Source File Reference UWMS6490