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(1R,3S,4S,5S,7R,9R,10R,11R)-1,9-Diacetyloxy-7-p-nitrobenzoyloxylongipinane
SpectraBase Compound ID FMiItBkRPWX
InChI InChI=1S/C26H33NO8/c1-13-11-18(33-14(2)28)22-23-21(13)26(22,6)20(34-15(3)29)12-19(25(23,4)5)35-24(30)16-7-9-17(10-8-16)27(31)32/h7-10,13,18-23H,11-12H2,1-6H3/t13-,18+,19+,20+,21-,22+,23-,26+/m0/s1
InChIKey SGCFZKXPUDSZQX-WRRDGSAQSA-N
Mol Weight 487.5 g/mol
Molecular Formula C26H33NO8
Exact Mass 487.220617 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 96ZRSeMhnU0
Name (1R,3S,4S,5S,7R,9R,10R,11R)-1,9-Diacetyloxy-7-p-nitrobenzoyloxylongipinane
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H33NO8
InChI InChI=1S/C26H33NO8/c1-13-11-18(33-14(2)28)22-23-21(13)26(22,6)20(34-15(3)29)12-19(25(23,4)5)35-24(30)16-7-9-17(10-8-16)27(31)32/h7-10,13,18-23H,11-12H2,1-6H3/t13-,18+,19+,20+,21-,22+,23-,26+/m0/s1
InChIKey SGCFZKXPUDSZQX-WRRDGSAQSA-N
Instrument Name Hewlett-Packard 5989A
Ionization Type EI
Literature Reference DOI 10.1021/np020158s
Molecular Weight 487.549 g/mol
Optical Rotation [a]D = -22 (589 nm), -22 (578 nm), -25 (546 nm), -38 (436 nm) (c = 0.15, CHCl3)
Reported Formula C26H33O8N
SMILES [C@@]1(OC(=O)C)([C@@]2([H])[C@]3(C)[C@@](C[C@@](OC(=O)c4ccc(cc4)[N+]([O-])=O)(C(C)(C)[C@@]2([H])[C@]3([H])[C@@](C)(C1)[H])[H])(OC(C)=O)[H])[H]
SPLASH splash10-00xr-2790100000-911cd83fc071adeeaf36
Source of Spectrum G4-65-1409-37
Wiley ID 1883397