(Q105308096)

English

(2Z)-4-[(1S,3aR,5S,6S,6aS,12aR,14S)-9-(3-Methyl-2-butenyl)-3,3,13,13,14-pentamethyl-5,6-dimethoxy-8-hydroxy-3,3a,4,5,6,6a-hexahydro-1,5-methano-10,11-(epoxyethano)-7,16-dioxo-7H-furo[3,4-d]xanthene-1-yl]-2-methyl-2-butenoic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

4-[11-Hydroxy-15,16-dimethoxy-6,6,7,20,20-pentamethyl-10-(3-methylbut-2-enyl)-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.02,14.02,18.04,12.05,9]henicosa-4(12),5(9),10-trien-18-yl]-2-methylbut-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

624.293447608 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2Z)-4-[(1R,3aS,5R,6R,6aR,12aS,14R)-9-(3-Methyl-2-butenyl)-3,3,13,13,14-pentamethyl-5,6-dimethoxy-8-hydroxy-3,3a,4,5,6,6a-hexahydro-1,5-methano-10,11-(epoxyethano)-7,16-dioxo-7H-furo[3,4-d]xanthene-1-yl]-2-methyl-2-butenoic acid

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₅H₄₄O₁₀

0 references

canonical SMILES

O=C(O)C(=CCC12OC(C)(C)C3CC(OC)(C1=O)C(OC)C4C(=O)C=5C(O)=C(C=6OC(C)C(C6C5OC432)(C)C)CC=C(C)C)C

0 references

isomeric SMILES

CO[C@H]1[C@@H]2C(=O)c3c(O)c(CC=C(C)C)c4c(c3O[C@]23[C@@H]2C[C@@]1(OC)C(=O)[C@@]3(C/C=C(/C)C(=O)O)OC2(C)C)C(C)(C)[C@H](C)O4

0 references

found in taxon

Garcinia scortechinii

3 references

stated in

Xanthone and sesquiterpene derivatives from the fruits of Garcinia scortechinii

stated in

Antibacterial caged-tetraprenylated xanthones from the stem bark of Garcinia scortechinii

stated in

Xanthone and sesquiterpene derivatives from the fruits of Garcinia scortechinii

Garcinia acuminata

2 references

stated in

Xanthone and sesquiterpene derivatives from the fruits of Garcinia scortechinii

stated in

Antibacterial caged-tetraprenylated xanthones from the stem bark of Garcinia scortechinii

Garcinia dulcis

2 references

stated in

Xanthone and sesquiterpene derivatives from the fruits of Garcinia scortechinii

stated in

Antibacterial caged-tetraprenylated xanthones from the stem bark of Garcinia scortechinii

Garcinia ovalifolia

2 references

stated in

Xanthone and sesquiterpene derivatives from the fruits of Garcinia scortechinii

stated in

Antibacterial caged-tetraprenylated xanthones from the stem bark of Garcinia scortechinii

Garcinia elliptica

2 references

stated in

Xanthone and sesquiterpene derivatives from the fruits of Garcinia scortechinii

stated in

Antibacterial caged-tetraprenylated xanthones from the stem bark of Garcinia scortechinii

Identifiers

InChI

InChI=1S/C35H44O10/c1-16(2)11-12-19-24(36)21-25(37)22-28(41-9)33(42-10)15-20-32(7,8)45-34(30(33)40,14-13-17(3)29(38)39)35(20,22)44-27(21)23-26(19)43-18(4)31(23,5)6/h11,13,18,20,22,28,36H,12,14-15H2,1-10H3,(H,38,39)/b17-13-/t18-,20+,22-,28-,33-,34+,35+/m0/s1

0 references

InChIKey

WLNGEHPSYXBRGK-DDFVUCPBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WLNGEHPSYXBRGK-DDFVUCPBSA-N

1 reference

(Q105308096)

(2Z)-4-[(1S,3aR,5S,6S,6aS,12aR,14S)-9-(3-Methyl-2-butenyl)-3,3,13,13,14-pentamethyl-5,6-dimethoxy-8-hydroxy-3,3a,4,5,6,6a-hexahydro-1,5-methano-10,11-(epoxyethano)-7,16-dioxo-7H-furo[3,4-d]xanthene-1-yl]-2-methyl-2-butenoic acid

Statements

Identifiers

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