(Q105208402)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

methyl 2-[3,4-diacetyloxy-2-[6,7-diacetyloxy-1-(furan-3-yl)-7a-methyl-4-methylidene-2,5,6,7-tetrahydro-1H-inden-5-yl]-2,6,6-trimethyl-5-oxocyclohexyl]acetate

1 reference

based on heuristic

inferred from SMILES

mass

656.283276848 dalton

1 reference

1 reference

C₃₅H₄₄O₁₂

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canonical SMILES

O=C(OC1C(=O)C(C)(C)C(CC(=O)OC)C(C)(C1OC(=O)C)C2C(=C)C3=CCC(C4=COC=C4)C3(C)C(OC(=O)C)C2OC(=O)C)C

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isomeric SMILES

C=C1C2=CC[C@@H](c3ccoc3)[C@]2(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1[C@@]1(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(=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/C35H44O12/c1-17-23-11-12-24(22-13-14-43-16-22)34(23,8)31(46-20(4)38)28(44-18(2)36)27(17)35(9)25(15-26(40)42-10)33(6,7)30(41)29(45-19(3)37)32(35)47-21(5)39/h11,13-14,16,24-25,27-29,31-32H,1,12,15H2,2-10H3/t24-,25-,27+,28-,29-,31-,32-,34+,35-/m0/s1

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InChIKey

PGHKNUKMRCMMQP-ZTPPHBRBSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PGHKNUKMRCMMQP-ZTPPHBRBSA-N

(Q105208402)

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

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