(Q104934869)

English

methyl 2-[(1S,2S)-2-[(1aS,4S,4aS,7R,8aS)-4-(furan-3-yl)-4a-methyl-8-methylidene-2-oxo-4,5,6,7-tetrahydro-1aH-oxireno[2,3-d]isochromen-7-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

methyl 2-[2-[4-(furan-3-yl)-4a-methyl-8-methylidene-2-oxo-4,5,6,7-tetrahydro-1aH-oxireno[2,3-d]isochromen-7-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]acetate

1 reference

based on heuristic

inferred from SMILES

mass

468.214803364 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₂O₇

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canonical SMILES

O=C(OC)CC1C(C=CC(=O)C1(C)C)(C)C2C(=C)C34OC4C(=O)OC(C5=COC=C5)C3(C)CC2

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isomeric SMILES

C=C1[C@@H]([C@]2(C)C=CC(=O)C(C)(C)[C@H]2CC(=O)OC)CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]132

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found in taxon

Swietenia macrophylla

1 reference

stated in

Limonoids from Swietenia macrophylla and S. aubrevilleana

Identifiers

InChI

InChI=1S/C27H32O7/c1-15-17(25(4)10-8-19(28)24(2,3)18(25)13-20(29)31-6)7-11-26(5)21(16-9-12-32-14-16)33-23(30)22-27(15,26)34-22/h8-10,12,14,17-18,21-22H,1,7,11,13H2,2-6H3/t17-,18+,21-,22+,25-,26-,27+/m0/s1

0 references

InChIKey

BFUCTROUWLSVBH-ILSUEGICSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BFUCTROUWLSVBH-ILSUEGICSA-N

(Q104934869)

methyl 2-[(1S,2S)-2-[(1aS,4S,4aS,7R,8aS)-4-(furan-3-yl)-4a-methyl-8-methylidene-2-oxo-4,5,6,7-tetrahydro-1aH-oxireno[2,3-d]isochromen-7-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]acetate

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