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orbiculin I

PropertiesImageOccurences in reactions
MNX_IDMNXM107436Image of MNXM107436
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC32H34O12
charge0
mass610.20503
referencechebi:66830
InChIKeyTUOQDKWZMVPMKF-FWBAFIGCSA-N
InChIInChI=1S/C32H34O12/c1-17-12-23(41-27(34)19-6-9-37-14-19)26(40-18(2)33)31(5)24(42-28(35)20-7-10-38-15-20)13-22-25(32(17,31)44-30(22,3)4)43-29(36)21-8-11-39-16-21/h6-11,14-17,22-26H,12-13H2,1-5H3/t17-,22-,23+,24+,25-,26+,31-,32-/m1/s1
SMILESCC(=O)O[C@H]1[C@@H](OC(=O)c2ccoc2)C[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccoc4)[C@]12C)[C@H]3OC(=O)c1ccoc1
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 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:66830
chebi:66830 		orbiculin I
(3R,5S,5aR,6R,7S,9R,9aS,10R)-6-(acetyloxy)-2,2,5a,9-tetramethyloctahydro-2H-3,9a-methano-1-benzoxepine-5,7,10-triyl trifuran-3-carboxylate
1beta-acetoxy-2beta,6alpha,9alpha-tri(3-furoyloxy)-dihydro-beta-agarofuran