John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=61avJIhRbWo SpectraBase Spectrum ID=2Vd91uJdYKr

(accessed ).
3-O-BETA-HYDROXY-9-BETA,19-CYCLOLANOST-3-BETA,6-ALPHA,16-BETA,24R,25-PENTOL
SpectraBase Compound ID 61avJIhRbWo
InChI InChI=1S/C30H52O5/c1-17(8-9-22(34)26(4,5)35)23-19(32)15-28(7)20-14-18(31)24-25(2,3)21(33)10-11-30(24)16-29(20,30)13-12-27(23,28)6/h17-24,31-35H,8-16H2,1-7H3/t17-,18+,19+,20+,21+,22+,23+,24+,27-,28+,29+,30-/m1/s1
InChIKey NNYKOYIGBZQYAI-MQGITODGSA-N
Mol Weight 492.7 g/mol
Molecular Formula C30H52O5
Exact Mass 492.381475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Vd91uJdYKr
Name 3-O-BETA-HYDROXY-9-BETA,19-CYCLOLANOST-3-BETA,6-ALPHA,16-BETA,24R,25-PENTOL
Compound Number 1A
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H52O5
InChI InChI=1S/C30H52O5/c1-17(8-9-22(34)26(4,5)35)23-19(32)15-28(7)20-14-18(31)24-25(2,3)21(33)10-11-30(24)16-29(20,30)13-12-27(23,28)6/h17-24,31-35H,8-16H2,1-7H3/t17-,18+,19+,20+,21+,22+,23+,24+,27-,28+,29+,30-/m1/s1
InChIKey NNYKOYIGBZQYAI-MQGITODGSA-N
Literature Reference Author F.ORSINI,L.VEROTTA,L.BARBONI,N.A.EL-SEBAKHY,A.M.ASAAD,R.M.AB DALLAH,S.M.TOAIMA
Literature Reference Citation PHYTOCHEM.,35,745(1994)
Literature Reference DOI 10.1016/S0031-9422(00)90598-3
Molecular Weight 492.740 g/mol
Solvent C5D5N
Source File Reference UWLU25119
SpectraBase Batch ID AKT1qH9FrY2