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(1R,3S,4S,5S,7R,9R,10R,11R)-9-Hydroxy-1,7-di-p-nitrobenzoyloxylongipinane
SpectraBase Compound ID L83VBeCtJui
InChI InChI=1S/C29H32N2O9/c1-15-13-20(39-26(33)16-5-9-18(10-6-16)30(35)36)24-25-23(15)29(24,4)21(32)14-22(28(25,2)3)40-27(34)17-7-11-19(12-8-17)31(37)38/h5-12,15,20-25,32H,13-14H2,1-4H3/t15-,20+,21+,22+,23-,24+,25-,29+/m0/s1
InChIKey ILDJVJXDMHQEEZ-WWTLEIMYSA-N
Mol Weight 552.6 g/mol
Molecular Formula C29H32N2O9
Exact Mass 552.210781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CB5TN3IlA4H
Name (1R,3S,4S,5S,7R,9R,10R,11R)-9-Hydroxy-1,7-di-p-nitrobenzoyloxylongipinane
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H32N2O9
InChI InChI=1S/C29H32N2O9/c1-15-13-20(39-26(33)16-5-9-18(10-6-16)30(35)36)24-25-23(15)29(24,4)21(32)14-22(28(25,2)3)40-27(34)17-7-11-19(12-8-17)31(37)38/h5-12,15,20-25,32H,13-14H2,1-4H3/t15-,20+,21+,22+,23-,24+,25-,29+/m0/s1
InChIKey ILDJVJXDMHQEEZ-WWTLEIMYSA-N
Instrument Name Hewlett-Packard 5989A
Ionization Type EI
Literature Reference DOI 10.1021/np020158s
Molecular Weight 552.580 g/mol
Optical Rotation [a]D = -82 (589 nm), -86 (578 nm), -99 (546 nm), -190 (436 nm) (c = 0.16, CHCl3)
Reported Formula C29H32O9N2
SMILES O[C@]1([C@]2([C@@]3([C@](OC(c4ccc(cc4)[N+]([O-])=O)=O)(C[C@@]([C@]2([C@@]3(C([C@@](C1)(OC(c1ccc(cc1)[N+]([O-])=O)=O)[H])(C)C)[H])[H])(C)[H])[H])[H])C)[H]
SPLASH splash10-0umi-0920000000-826b678114f9f58e2d52
Source of Spectrum G4-65-1408-33
Wiley ID 1883393