(Q105189739)

English

furan-3-yl (1S,2S,5R,6R,7S,8S,9R,12R)-5,12-diacetyloxy-6-(acetyloxymethyl)-7-(furan-3-carbonyloxy)-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecane-8-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Furan-3-yl 5,12-diacetyloxy-6-(acetyloxymethyl)-7-(furan-3-carbonyloxy)-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecane-8-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

632.210505832 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₃₆O₁₄

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canonical SMILES

O=C(OC1C(C(=O)OC2=COC=C2)C3C(OC(=O)C)C4(OC3(C)C)C(O)(C)CCC(OC(=O)C)C14COC(=O)C)C5=COC=C5

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isomeric SMILES

CC(=O)OC[C@@]12[C@@H](OC(=O)c3ccoc3)[C@@H](C(=O)Oc3ccoc3)[C@@H]3[C@@H](OC(C)=O)[C@]1(OC3(C)C)[C@@](C)(O)CC[C@H]2OC(C)=O

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found in taxon

Celastrus paniculatus

1 reference

stated in

New β-dihydroagarofuran sesquiterpenoids fromCelastrus paniculatus

Identifiers

InChI

InChI=1S/C31H36O14/c1-16(32)40-15-30-21(41-17(2)33)7-10-29(6,37)31(30)25(42-18(3)34)23(28(4,5)45-31)22(27(36)43-20-9-12-39-14-20)24(30)44-26(35)19-8-11-38-13-19/h8-9,11-14,21-25,37H,7,10,15H2,1-6H3/t21-,22+,23-,24+,25-,29+,30-,31+/m1/s1

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InChIKey

ODCAMDJMGUTWOU-UFAKWALKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ODCAMDJMGUTWOU-UFAKWALKSA-N

(Q105189739)

furan-3-yl (1S,2S,5R,6R,7S,8S,9R,12R)-5,12-diacetyloxy-6-(acetyloxymethyl)-7-(furan-3-carbonyloxy)-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecane-8-carboxylate

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Identifiers

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