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FATSICARPAIN_B;3-BETA-SULFOOXYOLEAN-11,13-(18)-DIEN-28-OIC_ACID
SpectraBase Compound ID 7YkpaJGmNOO
InChI InChI=1S/C30H46O6S/c1-25(2)14-16-30(24(31)32)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(36-37(33,34)35)26(3,4)21(27)10-13-29(22,28)7/h8-9,21-23H,10-18H2,1-7H3,(H,31,32)(H,33,34,35)/t21-,22+,23-,27-,28+,29+,30-/m0/s1
InChIKey NXFKKVRHIZTYMJ-HLYSYWIOSA-N
Mol Weight 534.8 g/mol
Molecular Formula C30H46O6S
Exact Mass 534.30151 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HqDFc4xqmbx
Name FATSICARPAIN_B;3-BETA-SULFOOXYOLEAN-11,13-(18)-DIEN-28-OIC_ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H46O6S
InChI InChI=1S/C30H46O6S/c1-25(2)14-16-30(24(31)32)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(36-37(33,34)35)26(3,4)21(27)10-13-29(22,28)7/h8-9,21-23H,10-18H2,1-7H3,(H,31,32)(H,33,34,35)/t21-,22+,23-,27-,28+,29+,30-/m0/s1
InChIKey NXFKKVRHIZTYMJ-HLYSYWIOSA-N
Literature Reference Author S.Y.CHENG,C.M.WANG,Y.M.HSU,T.J.HUANG,S.C.CHOU,E.H.LIN,C.H.CH OU
Literature Reference Citation J.NAT.PROD.,74,1744(2011)
Literature Reference DOI 10.1021/np2002435
Molecular Weight 534.752 g/mol
Sample ID 39098
Solvent CD3OD