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1H-2,8a-Methanocyclopenta[a]cyclopropa[e]cyclodecen-11-one, 5,6-bis(acetyloxy)-4-[(acetyloxy)methyl]-1a,2,5,5a,6,9,10,10a-octahydro-5a-hydroxy-1,1,7,9-tetramethyl-, [1aR-(1a.alpha.,2.alpha.,5.beta.,5a.beta.,6.beta.,8a.alpha.,9.alpha.,10a.alpha.)]-

View entire compound with spectra: 1 MS (GC)

1H-2,8a-Methanocyclopenta[a]cyclopropa[e]cyclodecen-11-one, 5,6-bis(acetyloxy)-4-[(acetyloxy)methyl]-1a,2,5,5a,6,9,10,10a-octahydro-5a-hydroxy-1,1,7,9-tetramethyl-, [1aR-(1a.alpha.,2.alpha.,5.beta.,5a.beta.,6.beta.,8a.alpha.,9.alpha.,10a.alpha.)]-
SpectraBase Compound ID 3jCok3ehmn7
InChI InChI=1S/C26H34O8/c1-12-10-25-13(2)8-19-20(24(19,6)7)18(21(25)30)9-17(11-32-14(3)27)23(34-16(5)29)26(25,31)22(12)33-15(4)28/h9-10,13,18-20,22-23,31H,8,11H2,1-7H3/t13-,18-,19-,20-,22?,23?,25+,26+/m1/s1
InChIKey IMTIXJBINQBHFH-QREGLGAZSA-N
Mol Weight 474.6 g/mol
Molecular Formula C26H34O8
Exact Mass 474.225368 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JtrzznjvjKJ
Name 1H-2,8a-Methanocyclopenta[a]cyclopropa[e]cyclodecen-11-one, 5,6-bis(acetyloxy)-4-[(acetyloxy)methyl]-1a,2,5,5a,6,9,10,10a-octahydro-5a-hydroxy-1,1,7,9-tetramethyl-, [1aR-(1a.alpha.,2.alpha.,5.beta.,5a.beta.,6.beta.,8a.alpha.,9.alpha.,10a.alpha.)]-
Alternate Name(s) 1H-2,8a-methanocyclopenta(a)cyclopropa(E)cyclodecen-11-one, 1a,2,5,5a,6,9,10,10a-octahydro-4-(hydroxymethyl)-1,1,7,9-tetramethyl-5,5a,6-trihydroxy-, 4,5,6-triacetate, (1aR,2S,5R,5aR, 6s,8aS,9R,10aR)- 1H-2,8a-Methanocyclopenta[a]cyclopropa[e]cyclodecen-11-one, 1a,2,5,5a,6,9,10,10a-octahydro-5,5a,6-trihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-, 4,5,6-triacetate, (1aR,2S,5R,5aR,6S,8aS,9R,10aR)- 1H-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecen-11-one, 5,6-bis(acetyloxy)-4-[(acetyloxy)methyl]-1a,2,5,5a,6,9,10,10a-octahydro-5a-hydroxy-1,1,7,9-tetramethyl-, (1aR,2S,5R,5aR,6S,8aS,10aR)- Ingenol triacetate Ingenol, 3,5,20-triacetate BRN 2230536 RD3-2118
CAS Registry Number 30220-45-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H34O8
InChI InChI=1S/C26H34O8/c1-12-10-25-13(2)8-19-20(24(19,6)7)18(21(25)30)9-17(11-32-14(3)27)23(34-16(5)29)26(25,31)22(12)33-15(4)28/h9-10,13,18-20,22-23,31H,8,11H2,1-7H3/t13-,18-,19-,20-,22?,23?,25+,26+/m1/s1
InChIKey IMTIXJBINQBHFH-QREGLGAZSA-N
Molecular Weight 474.550 g/mol
SMILES O[C@@]12[C@@]3(C(=O)[C@@]([C@]4(C([C@@]4(C[C@]3(C)[H])[H])(C)C)[H])(C=C(C2OC(C)=O)COC(C)=O)[H])C=C(C1OC(C)=O)C
SPLASH splash10-006x-5951000000-cfa273d5e55cdec631cd
Source of Spectrum W5-36208-29328-29328
Wiley ID 1393860