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SCUTEREPENIN-F1;(4R,11S*,13R*)-1-BETA-O-ACETYL-7-BETA-O-TRANS-CINNAMOYL-18-BETA-O-METHYL-6-ALPHA,18:11,16:15,16-TRIEPOXY-NEOCLERODANE-1,7,18-TRIOL

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SCUTEREPENIN-F1;(4R,11S*,13R*)-1-BETA-O-ACETYL-7-BETA-O-TRANS-CINNAMOYL-18-BETA-O-METHYL-6-ALPHA,18:11,16:15,16-TRIEPOXY-NEOCLERODANE-1,7,18-TRIOL
SpectraBase Compound ID 9UbXj1J858N
InChI InChI=1S/C32H42O8/c1-18-26(39-25(34)14-11-20-9-7-6-8-10-20)28-32(4)22(30(35-5)40-28)12-13-23(37-19(2)33)27(32)31(18,3)24-17-21-15-16-36-29(21)38-24/h6-11,14,18,21-24,26-30H,12-13,15-17H2,1-5H3/b14-11+/t18-,21-,22+,23-,24+,26-,27-,28+,29+,30-,31-,32+/m1/s1
InChIKey RFUWPOMMYUJBEO-MGJJTAOWSA-N
Mol Weight 554.7 g/mol
Molecular Formula C32H42O8
Exact Mass 554.287968 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K9ecUkjZCSH
Name SCUTEREPENIN-F1;(4R,11S*,13R*)-1-BETA-O-ACETYL-7-BETA-O-TRANS-CINNAMOYL-18-BETA-O-METHYL-6-ALPHA,18:11,16:15,16-TRIEPOXY-NEOCLERODANE-1,7,18-TRIOL
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H42O8
InChI InChI=1S/C32H42O8/c1-18-26(39-25(34)14-11-20-9-7-6-8-10-20)28-32(4)22(30(35-5)40-28)12-13-23(37-19(2)33)27(32)31(18,3)24-17-21-15-16-36-29(21)38-24/h6-11,14,18,21-24,26-30H,12-13,15-17H2,1-5H3/b14-11+/t18-,21-,22+,23-,24+,26-,27-,28+,29+,30-,31-,32+/m1/s1
InChIKey RFUWPOMMYUJBEO-MGJJTAOWSA-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 554.681 g/mol
Solvent CDCl3
Source File Reference UWMS6500