(Q105204565)

English

methyl 2-[(1R,2S)-2-[(1S,5R,6S,7R,7aS)-6-acetyloxy-1-(furan-3-yl)-7-hydroxy-7a-methyl-4-methylidene-2,5,6,7-tetrahydro-1H-inden-5-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]acetate

chemical compound

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instance of

type of chemical entity

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subclass of

methyl 2-{2-[6-(acetyloxy)-1-(furan-3-yl)-7-hydroxy-7a-methyl-4-methylidene-2,5,6,7-tetrahydro-1H-inden-5-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl}acetate

1 reference

based on heuristic

inferred from SMILES

mass

496.246103492 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

11beta-Acetoxy-12alpha-hydroxy-3-oxo-8-demethyl-6,7-secomeliacane-1,7,14-triene-6-carboxylic acid methyl ester

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl 2-[(1R,2R)-2-[(1S,5R,6R,7R,7aS)-6-acetyloxy-1-(furan-3-yl)-7-hydroxy-7a-methyl-4-methylidene-2,5,6,7-tetrahydro-1H-inden-5-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]acetate

1 reference

based on heuristic

inferred from InChIKey

chemical formula

C₂₉H₃₆O₇

0 references

canonical SMILES

O=C(OC1C(O)C2(C(=CCC2C3=COC=C3)C(=C)C1C4(C=CC(=O)C(C)(C)C4CC(=O)OC)C)C)C

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isomeric SMILES

C=C1C2=CC[C@@H](c3ccoc3)[C@]2(C)[C@@H](O)[C@@H](OC(C)=O)[C@@H]1[C@@]1(C)C=CC(=O)C(C)(C)[C@@H]1CC(=O)OC

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found in taxon

Turraea floribunda

1 reference

stated in

Limonoids from the seed of Turraea floribunda

Turraea heterophylla

1 reference

stated in

Limonoids from the seed of Turraea floribunda

Identifiers

InChI

InChI=1S/C29H36O7/c1-16-19-8-9-20(18-11-13-35-15-18)29(19,6)26(33)25(36-17(2)30)24(16)28(5)12-10-22(31)27(3,4)21(28)14-23(32)34-7/h8,10-13,15,20-21,24-26,33H,1,9,14H2,2-7H3/t20-,21-,24+,25-,26-,28-,29+/m0/s1

0 references

InChIKey

PAJYNYNKHIEEHT-VEPPZMBWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PAJYNYNKHIEEHT-VEPPZMBWSA-N

(Q105204565)

methyl 2-[(1R,2S)-2-[(1S,5R,6S,7R,7aS)-6-acetyloxy-1-(furan-3-yl)-7-hydroxy-7a-methyl-4-methylidene-2,5,6,7-tetrahydro-1H-inden-5-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]acetate

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