(Q104958334)

English

(1S,12R,13R,14R)-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.0¹,¹⁶.0⁴,²¹.0⁵,⁹]henicosa-4(21),5(9),10,16,18-pentaen-12-yl (2Z)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,18-pentaen-12-yl) (E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

(18,19-Dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,18-pentaen-12-yl) 2-methylbut-2-enoate

1 reference

1 reference

482.19406792 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,12S,13R,14R)-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,18-pentaen-12-yl] (E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₀O₈

0 references

canonical SMILES

O=C(OC1C2=CC=3OCOC3C=4OCC5(C(=O)C(OC)=C(OC)C=C5CC(C)C1C)C42)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@H]1c2cc3c(c4c2[C@@]2(CO4)C(=O)C(OC)=C(OC)C=C2C[C@@H](C)[C@H]1C)OCO3

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found in taxon

Kadsura interior

1 reference

stated in

Interiotherins C and D, two new lignans from Kadsura interior and antitumor-promoting effects of related neolignans on Epstein-Barr virus activation

Schisandra rubriflora

1 reference

stated in

Rubriflorin A and B, Two Novel Partially Saturated Dibenzocyclooctene Lignans fromSchisandra rubriflora

Kadsura heteroclita

1 reference

stated in

Interiotherins C and D, two new lignans from Kadsura interior and antitumor-promoting effects of related neolignans on Epstein-Barr virus activation

Identifiers

InChI

InChI=1S/C27H30O8/c1-7-13(2)26(29)35-21-15(4)14(3)8-16-9-18(30-5)23(31-6)25(28)27(16)11-32-24-20(27)17(21)10-19-22(24)34-12-33-19/h7,9-10,14-15,21H,8,11-12H2,1-6H3/b13-7-/t14-,15-,21-,27+/m1/s1

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InChIKey

CGWKMZYZZCWGCK-YSKMNHBWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CGWKMZYZZCWGCK-YSKMNHBWSA-N

ChEBI ID

228878

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C27H30O8/c1-7-13(2)26(29)35-21-15(4)14(3)8-16-9-18(30-5)23(31-6)25(28)27(16)11-32-24-20(27)17(21)10-19-22(24)34-12-33-19/h7,9-10,14-15,21H,8,11-12H2,1-6H3/b13-7-/t14-,15-,21-,27+/m1/s1

1 reference

0 references

(Q104958334)

(1S,12R,13R,14R)-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.0¹,¹⁶.0⁴,²¹.0⁵,⁹]henicosa-4(21),5(9),10,16,18-pentaen-12-yl (2Z)-2-methylbut-2-enoate

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