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Talaroconvolutin D

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

Talaroconvolutin D
SpectraBase Compound ID BY42bxoz8qP
InChI InChI=1S/C35H49NO5/c1-9-20(2)16-22(4)27-23(5)18-34(8)17-21(3)10-15-26(34)28(27)30(38)29-31-35(36-32(29)39,41-33(6,7)40-31)19-24-11-13-25(37)14-12-24/h11-14,16,18,20-21,26-29,31,37H,9-10,15,17,19H2,1-8H3,(H,36,39)/b22-16+/t20?,21-,26+,27-,28+,29?,31?,34+,35?/m0/s1
InChIKey QHDBOFOXZOOICM-ZSXAJSSESA-N
Mol Weight 563.8 g/mol
Molecular Formula C35H49NO5
Exact Mass 563.361074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JNDSta1TmFs
Name Talaroconvolutin D
Alternate Name(s) 6-[[(1R,2S,4aS,6S,8aR)-3,4a,6-trimethyl-2-[(E)-4-methylhex-2-en-2-yl]-2,5,6,7,8,8a-hexahydro-1H-naphthalen-1-yl]-oxomethyl]-3a-[(4-hydroxyphenyl)methyl]-2,2-dimethyl-6,6a-dihydro-4H-[1,3]dioxolo[4,5-b]pyrrol-5-one 6-[(1R,2S,4aS,6S,8aR)-3,4a,6-trimethyl-2-[(E)-4-methylhex-2-en-2-yl]-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carbonyl]-3a-[(4-hydroxyphenyl)methyl]-2,2-dimethyl-6,6a-dihydro-4H-[1,3]dioxolo[4,5-b]pyrrol-5-one 6-[(1R,2S,4aS,6S,8aR)-2-[(E)-1,3-dimethylpent-1-enyl]-3,4a,6-trimethyl-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carbonyl]-3a-[(4-hydroxyphenyl)methyl]-2,2-dimethyl-6,6a-dihydro-4H-[1,3]dioxolo[4,5-b]pyrrol-5-one 6-[[(1R,2S,4aS,6S,8aR)-3,4a,6-trimethyl-2-[(E)-4-methylhex-2-en-2-yl]-2,5,6,7,8,8a-hexahydro-1H-naphthalen-1-yl]carbonyl]-3a-[(4-hydroxyphenyl)methyl]-2,2-dimethyl-6,6a-dihydro-4H-[1,3]dioxolo[4,5-b]pyrrol-5-one
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Formula C35H49NO5
InChI InChI=1S/C35H49NO5/c1-9-20(2)16-22(4)27-23(5)18-34(8)17-21(3)10-15-26(34)28(27)30(38)29-31-35(36-32(29)39,41-33(6,7)40-31)19-24-11-13-25(37)14-12-24/h11-14,16,18,20-21,26-29,31,37H,9-10,15,17,19H2,1-8H3,(H,36,39)/b22-16+/t20?,21-,26+,27-,28+,29?,31?,34+,35?/m0/s1
InChIKey QHDBOFOXZOOICM-ZSXAJSSESA-N
Molecular Weight 563.779 g/mol
SMILES N1C(C(C2C1(Cc1ccc(cc1)O)OC(O2)(C)C)C([C@]1([C@](C(C)=C[C@@]2([C@@]1(CC[C@](C)(C2)[H])[H])C)(\C(=C\C(CC)C)C)[H])[H])=O)=O
SPLASH splash10-052b-7006490000-15e6bbbde3724f113519
Source of Spectrum G4-63-772-4
Wiley ID 1608463