(Q105347861)

English

methyl 2-[(3R,6E)-6-[[(1S,6R,7R,7aS)-6,7-diacetyloxy-1-(furan-3-yl)-7a-methyl-1,2,6,7-tetrahydroinden-4-yl]methylidene]-2,2,4-trimethyl-7-oxo-3H-oxepin-3-yl]acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

552.235932732 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl 2-[(3R)-6-[[(1S,6R,7R,7aS)-6,7-diacetyloxy-1-(furan-3-yl)-7a-methyl-1,2,6,7-tetrahydroinden-4-yl]methylidene]-2,2,4-trimethyl-7-oxo-3H-oxepin-3-yl]acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₁H₃₆O₉

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canonical SMILES

O=C1OC(C)(C)C(C(=CC1=CC2=CC(OC(=O)C)C(OC(=O)C)C3(C2=CCC3C4=COC=C4)C)C)CC(=O)OC

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isomeric SMILES

COC(=O)C[C@@H]1C(C)=C/C(=C\C2=C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C)C2=CC[C@H]3c2ccoc2)C(=O)OC1(C)C

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found in taxon

Munronia pinnata

1 reference

stated in

Bioactive Limonoid Constituents of Munronia henryi

Identifiers

InChI

InChI=1S/C31H36O9/c1-17-12-22(29(35)40-30(4,5)25(17)15-27(34)36-7)13-21-14-26(38-18(2)32)28(39-19(3)33)31(6)23(8-9-24(21)31)20-10-11-37-16-20/h9-14,16,23,25-26,28H,8,15H2,1-7H3/b22-13+/t23-,25+,26+,28-,31-/m0/s1

0 references

InChIKey

YFWNNGNACXIOHB-KXZRYAJGSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

YFWNNGNACXIOHB-KXZRYAJGSA-N

1 reference

(Q105347861)

methyl 2-[(3R,6E)-6-[[(1S,6R,7R,7aS)-6,7-diacetyloxy-1-(furan-3-yl)-7a-methyl-1,2,6,7-tetrahydroinden-4-yl]methylidene]-2,2,4-trimethyl-7-oxo-3H-oxepin-3-yl]acetate

Statements

Identifiers

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