(Q104908017)

English

(1R,2S,3S,5S,8S,11R,12R)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(1R,2R,3S,8R,11R,12S)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.0²,¹¹.0³,⁸]hexadec-15-ene-7,13-dione

1 reference

based on heuristic

inferred from SMILES

(2S,3S,5R,8R,11R,12R)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.0²,¹¹.0³,⁸]hexadec-15-ene-7,13-dione

1 reference

1 reference

(1R,2R,3S,8R,11R,12R)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.0²,¹¹.0³,⁸]hexadec-15-ene-7,13-dione

1 reference

based on heuristic

inferred from SMILES

mass

358.141638424 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,2S,3S,5R,8R,11R,12R)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-dione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,2R,3R,5R,8S,11S,12S)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-dione

2 references

based on heuristic

inferred from InChIKey

1 reference

1 reference

1 reference

C₂₀H₂₂O₆

0 references

canonical SMILES

O=C1OC(C2=COC=C2)CC3(C)C1CCC4(C)C3C5OC(=O)C4(O)C=C5

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isomeric SMILES

C[C@@]12C[C@@H](c3ccoc3)OC(=O)[C@H]1CC[C@]1(C)[C@H]2[C@H]2C=C[C@]1(O)C(=O)O2

0 references

found in taxon

Jateorhiza palmata

1 reference

stated in

Studies on the Constituents ofJateorhiza palmata Miers (Colombo root), I Separation and Structure of a New Furanoid Diterpene Glucoside (Palmatoside A)

Penianthus zenkeri

1 reference

stated in

Clerodane-type diterpenes and other constituents of Penianthus zenkeri

Identifiers

InChI

InChI=1S/C20H22O6/c1-18-9-14(11-5-8-24-10-11)25-16(21)12(18)3-6-19(2)15(18)13-4-7-20(19,23)17(22)26-13/h4-5,7-8,10,12-15,23H,3,6,9H2,1-2H3/t12-,13-,14+,15+,18-,19-,20+/m1/s1

0 references

InChIKey

AALLCALQGXXWNA-FDBLAFQCSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104908017)

(1R,2S,3S,5S,8S,11R,12R)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-dione

Statements

Identifiers

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