(Q105169063)

English

[(1R,6R,7R,10R,11S,12S,14R,15S,16S,18R)-18-acetyloxy-6-(furan-3-yl)-16-hydroxy-12-(2-methoxy-2-oxoethyl)-7,11,13,13-tetramethyl-4-oxo-5,17-dioxapentacyclo[13.2.1.01,10.02,7.011,16]octadec-2-en-14-yl] (E)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[18-Acetyloxy-6-(furan-3-yl)-16-hydroxy-12-(2-methoxy-2-oxoethyl)-7,11,13,13-tetramethyl-4-oxo-5,17-dioxapentacyclo[13.2.1.01,10.02,7.011,16]octadec-2-en-14-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

626.272712164 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,6S,7S,10S,11R,12R,14S,15S,16R,18S)-18-acetyloxy-6-(furan-3-yl)-16-hydroxy-12-(2-methoxy-2-oxoethyl)-7,11,13,13-tetramethyl-4-oxo-5,17-dioxapentacyclo[13.2.1.01,10.02,7.011,16]octadec-2-en-14-yl] (E)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₄H₄₂O₁₁

0 references

canonical SMILES

O=C1OC(C2=COC=C2)C3(C(=C1)C45OC6(O)C(C4OC(=O)C)C(OC(=O)C(=CC)C)C(C)(C)C(CC(=O)OC)C6(C)C5CC3)C

0 references

isomeric SMILES

C/C=C(\C)C(=O)O[C@@H]1[C@H]2[C@@H](OC(C)=O)[C@@]34O[C@]2(O)[C@@](C)([C@@H](CC(=O)OC)C1(C)C)[C@H]3CC[C@]1(C)C4=CC(=O)O[C@H]1c1ccoc1

0 references

found in taxon

Xylocarpus granatum

1 reference

stated in

Xylocarpins A-I, limonoids from the Chinese mangrove plant Xylocarpus granatum.

Identifiers

InChI

InChI=1S/C34H42O11/c1-9-17(2)29(38)44-27-25-28(42-18(3)35)33-20(32(7,34(25,39)45-33)21(30(27,4)5)14-23(36)40-8)10-12-31(6)22(33)15-24(37)43-26(31)19-11-13-41-16-19/h9,11,13,15-16,20-21,25-28,39H,10,12,14H2,1-8H3/b17-9+/t20-,21+,25+,26+,27-,28-,31-,32-,33-,34+/m1/s1

0 references

InChIKey

MOPOLYKIPLRURH-IQQDILAASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MOPOLYKIPLRURH-IQQDILAASA-N

(Q105169063)

[(1R,6R,7R,10R,11S,12S,14R,15S,16S,18R)-18-acetyloxy-6-(furan-3-yl)-16-hydroxy-12-(2-methoxy-2-oxoethyl)-7,11,13,13-tetramethyl-4-oxo-5,17-dioxapentacyclo[13.2.1.01,10.02,7.011,16]octadec-2-en-14-yl] (E)-2-methylbut-2-enoate

Statements

Identifiers

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