(Q105150176)

English

methyl (Z)-3-[(1R,2R,4S,7S,8S,11R,12S,16R)-7-(furan-3-yl)-1,8,15,15-tetramethyl-5,17,18-trioxo-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecan-12-yl]prop-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

Methyl 3-[7-(furan-3-yl)-1,8,15,15-tetramethyl-5,17,18-trioxo-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecan-12-yl]prop-2-enoate

1 reference

1 reference

498.18898254 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (E)-3-[(1R,2R,4S,7S,8S,11R,12S,16R)-7-(furan-3-yl)-1,8,15,15-tetramethyl-5,17,18-trioxo-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecan-12-yl]prop-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₀O₉

0 references

canonical SMILES

O=C(OC)C=CC12COC(C)(C)C2C(=O)C(=O)C3(C)C1CCC4(C)C(OC(=O)C5OC534)C6=COC=C6

0 references

isomeric SMILES

COC(=O)/C=C\[C@@]12COC(C)(C)[C@@H]1C(=O)C(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321

0 references

found in taxon

Atalantia macrophylla

1 reference

stated in

Limonoids from Atalantia monophylla

Atalantia buxifolia

1 reference

stated in

Severibuxine, a new quinolin-2,4-dione and other constituents from Severinia buxifolia

Identifiers

InChI

InChI=1S/C27H30O9/c1-23(2)18-17(29)19(30)25(4)15(26(18,13-34-23)10-7-16(28)32-5)6-9-24(3)20(14-8-11-33-12-14)35-22(31)21-27(24,25)36-21/h7-8,10-12,15,18,20-21H,6,9,13H2,1-5H3/b10-7-/t15-,18-,20-,21+,24-,25-,26-,27+/m0/s1

0 references

InChIKey

LDDPNRPNOHWFQH-RFWHMWEWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LDDPNRPNOHWFQH-RFWHMWEWSA-N

1 reference

(Q105150176)

methyl (Z)-3-[(1R,2R,4S,7S,8S,11R,12S,16R)-7-(furan-3-yl)-1,8,15,15-tetramethyl-5,17,18-trioxo-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecan-12-yl]prop-2-enoate

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Identifiers

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