(Q104980825)

English

methyl (7R)-21-[(1E)-3-hydroperoxy-3-methylbut-1-en-1-yl]-7,14-dihydroxy-18,18-dimethyl-5,12-dioxo-9-(prop-1-en-2-yl)-2,19-dioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁵,²⁰]henicosa-1(21),3,8,10,13,15(20),16-heptaene-7-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

10H-Cyclopenta[h]pyrano[3,2-b]xanthene-3-carboxylic acid, 1,2,3,6-tetrahydro-12-(3-hydroperoxy-3-methyl-1-butenyl)-3,7-dihydroxy-10,10-dimethyl-4-(1-methylethenyl)-1,6-dioxo-, methyl ester

1 reference

1 reference

562.18389716 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₃₀O₁₀

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canonical SMILES

O=C(OC)C1(O)C=2C(=CC=3C(=O)C4=C(O)C=5C=CC(OC5C(C=CC(OO)(C)C)=C4OC3C2C(=O)C1)(C)C)C(=C)C

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isomeric SMILES

C=C(C)c1cc2c(=O)c3c(O)c4c(c(/C=C/C(C)(C)OO)c3oc2c2c1[C@@](O)(C(=O)OC)CC2=O)OC(C)(C)C=C4

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found in taxon

Artocarpus heterophyllus

1 reference

stated in

Artonins Q, R, S, T, and U, Five New Isoprenylated Phenoles from the Bark of Artocarpus heterophyllus Lamk

Identifiers

InChI

InChI=1S/C31H30O10/c1-14(2)17-12-18-24(34)21-23(33)15-8-10-29(3,4)40-25(15)16(9-11-30(5,6)41-37)26(21)39-27(18)20-19(32)13-31(36,22(17)20)28(35)38-7/h8-12,33,36-37H,1,13H2,2-7H3/b11-9+/t31-/m1/s1

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InChIKey

DHSZUELPJXKISQ-QRCHRYKKSA-N

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(Q104980825)

methyl (7R)-21-[(1E)-3-hydroperoxy-3-methylbut-1-en-1-yl]-7,14-dihydroxy-18,18-dimethyl-5,12-dioxo-9-(prop-1-en-2-yl)-2,19-dioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁵,²⁰]henicosa-1(21),3,8,10,13,15(20),16-heptaene-7-carboxylate

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