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MACROCARPAL-G;SYNTHETIC-PRODUCT

View entire compound with spectra: 2 NMR, and 1 MS (GC)

MACROCARPAL-G;SYNTHETIC-PRODUCT
SpectraBase Compound ID 3v3pduhYyMk
InChI InChI=1S/C28H38O5/c1-14(2)11-20(21-25(32)17(12-29)24(31)18(13-30)26(21)33)28(6)10-9-16-15(3)7-8-19-23(22(16)28)27(19,4)5/h12-14,16,19-20,22-23,31-33H,3,7-11H2,1-2,4-6H3/t16-,19+,20-,22+,23+,28+/m0/s1
InChIKey IEWHEHWXBLPFER-HUCVFKCKSA-N
Mol Weight 454.6 g/mol
Molecular Formula C28H38O5
Exact Mass 454.271924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HRKNZksNrby
Name 5-[(1R)-1-[(1aR,4aR,7S,7aR,7bR)-1,1,7-trimethyl-4-methylene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-yl]-3-methyl-butyl]-2,4,6-trihydroxy-benzene-1,3-dicarbaldehyde
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H38O5
InChI InChI=1S/C28H38O5/c1-14(2)11-20(21-25(32)17(12-29)24(31)18(13-30)26(21)33)28(6)10-9-16-15(3)7-8-19-23(22(16)28)27(19,4)5/h12-14,16,19-20,22-23,31-33H,3,7-11H2,1-2,4-6H3/t16-,19+,20-,22+,23+,28+/m0/s1
InChIKey IEWHEHWXBLPFER-HUCVFKCKSA-N
Molecular Weight 454.607 g/mol
SMILES Oc1c(c(c(c(c1[C@@]([C@@]1([C@]2([C@@]3(C(C)(C)[C@@]3(CCC([C@@]2(CC1)[H])=C)[H])[H])[H])C)(CC(C)C)[H])O)C=O)O)C=O
SPLASH splash10-0002-0900100000-3ebe790139af418bc3b8
Source of Spectrum J-63-9792-3
Synonyms 5-[(1R)-1-[(1aR,4aR,7S,7aR,7bR)-1,1,7-trimethyl-4-methylene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarboxaldehyde 5-[(1R)-1-[(1aR,4aR,7S,7aR,7bR)-1,1,7-trimethyl-4-methylene-1a,2,3,4a,5,6,7a,7b-octahydrocycloprop[h]azulen-7-yl]-3-methyl-butyl]-2,4,6-trihydroxy-isophthalaldehyde 5-[(1R)-1-[(1aR,4aR,7S,7aR,7bR)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-yl]-3-methyl-butyl]-2,4,6-tris(oxidanyl)benzene-1,3-dicarbaldehyde 5-[(1R)-1-[(1aR,4aR,7S,7aR,7bR)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
Wiley ID 1388855