(Q105185286)

English

(2E)-4-[(1S,3aR,12aR,14S)-1-(Methoxycarbonyl)-9-(3-methyl-2-butenyl)-3,3,13,13,14-pentamethyl-8-hydroxy-3,3a,4,5-tetrahydro-10,11-(epoxyethano)-5,7-dioxo-7H-furo[3,4-d]xanthene-1-yl]-2-methyl-2-butenoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

(2E)-4-[10-hydroxy-20-(methoxycarbonyl)-5,5,6,18,18-pentamethyl-9-(3-methylbut-2-en-1-yl)-12,15-dioxo-2,7,19-trioxapentacyclo[11.7.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]icosa-3,8,10,13-tetraen-20-yl]-2-methylbut-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

4-[10-Hydroxy-20-methoxycarbonyl-5,5,6,18,18-pentamethyl-9-(3-methylbut-2-enyl)-12,15-dioxo-2,7,19-trioxapentacyclo[11.7.0.01,17.03,11.04,8]icosa-3(11),4(8),9,13-tetraen-20-yl]-2-methylbut-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

608.26214748 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₄₀O₁₀

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canonical SMILES

O=C(O)C(=CCC1(OC(C)(C)C2CC(=O)C=C3C(=O)C=4C(O)=C(C=5OC(C)C(C5C4OC321)(C)C)CC=C(C)C)C(=O)OC)C

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isomeric SMILES

COC(=O)[C@@]1(C/C=C(\C)C(=O)O)OC(C)(C)[C@H]2CC(=O)C=C3C(=O)c4c(O)c(CC=C(C)C)c5c(c4O[C@@]321)C(C)(C)[C@H](C)O5

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found in taxon

Garcinia scortechinii

1 reference

stated in

Caged-triprenylated and -tetraprenylated xanthones from the latex of Garcinia scortechinii

Garcinia acuminata

1 reference

stated in

Caged-triprenylated and -tetraprenylated xanthones from the latex of Garcinia scortechinii

Garcinia dulcis

1 reference

stated in

Caged-triprenylated and -tetraprenylated xanthones from the latex of Garcinia scortechinii

Garcinia ovalifolia

1 reference

stated in

Caged-triprenylated and -tetraprenylated xanthones from the latex of Garcinia scortechinii

Garcinia elliptica

1 reference

stated in

Caged-triprenylated and -tetraprenylated xanthones from the latex of Garcinia scortechinii

Identifiers

InChI

InChI=1S/C34H40O10/c1-16(2)10-11-20-25(36)23-26(37)21-14-19(35)15-22-32(7,8)44-33(30(40)41-9,13-12-17(3)29(38)39)34(21,22)43-28(23)24-27(20)42-18(4)31(24,5)6/h10,12,14,18,22,36H,11,13,15H2,1-9H3,(H,38,39)/b17-12+/t18-,22+,33+,34-/m0/s1

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InChIKey

NSXJYXNANXQGCY-JOXVHFRWSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

NSXJYXNANXQGCY-JOXVHFRWSA-N

1 reference

(Q105185286)

(2E)-4-[(1S,3aR,12aR,14S)-1-(Methoxycarbonyl)-9-(3-methyl-2-butenyl)-3,3,13,13,14-pentamethyl-8-hydroxy-3,3a,4,5-tetrahydro-10,11-(epoxyethano)-5,7-dioxo-7H-furo[3,4-d]xanthene-1-yl]-2-methyl-2-butenoic acid

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Identifiers

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