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PENASIN_B

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PENASIN_B
SpectraBase Compound ID 6VD2J0n7iNe
InChI InChI=1S/C30H56ClNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-27(31)24-21-18-15-16-19-22-25-29-30(33)28(32)26-34-29/h15,18,23,28-30,33H,2-14,16-17,19-22,24-26,32H2,1H3/b18-15-,27-23-/t28-,29-,30-/m0/s1
InChIKey MOBARKDTJFXOAP-BDGGXDINSA-N
Mol Weight 498.2 g/mol
Molecular Formula C30H56ClNO2
Exact Mass 497.399958 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EVKoIhRb5s
Name PENASIN_B
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H56ClNO2
InChI InChI=1S/C30H56ClNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-27(31)24-21-18-15-16-19-22-25-29-30(33)28(32)26-34-29/h15,18,23,28-30,33H,2-14,16-17,19-22,24-26,32H2,1H3/b18-15-,27-23-/t28-,29-,30-/m0/s1
InChIKey MOBARKDTJFXOAP-BDGGXDINSA-N
Literature Reference Author H.ANDO,R.UEOKA,S.OKADA,T.FUJITA,T.IWASHITA,T.IMAI,T.YOKOYAMA ,Y.MATSUMOTO,R.W.M.V
Literature Reference Citation J.NAT.PROD.,73,1947(2010)
Literature Reference DOI 10.1021/np1003565
Molecular Weight 498.233 g/mol
Sample ID 37158
Solvent CD3OD