(Q27138130)

CHEBI:69788 (English)

dimethyl (2S,5R,7S,8R,12S,15R,17S,18R,19S,24S)-19,24-dihydroxy-2,8,12,18-tetramethyl-20,23-dioxoheptacyclo[12.6.2.28,11.04,9.05,7.015,17.018,22]tetracosa-1(21),4(9),10,14(22)-tetraene-2,12-dicarboxylate

7 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

dimethyl (2S,5R,7S,8S,12S,15R,17S,18R,19S,24S)-19,24-dihydroxy-2,8,12,18-tetramethyl-20,23-dioxoheptacyclo[12.6.2.28,11.04,9.05,7.015,17.018,22]tetracosa-1(21),4(9),10,14(22)-tetraene-2,12-dicarboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₃₆O₈

1 reference

CHEBI:69788 (English)

7 October 2016

canonical SMILES

CC1(CC2=C3C=C(C(=O)C(C3(C4C2C4)C)O)C(CC5=C6C=C1C(=O)C(C6(C7C5C7)C)O)(C)C(=O)OC)C(=O)OC

1 reference

CHEBI:69788 (English)

7 October 2016

isomeric SMILES

C[C@]1(CC2=C3C=C(C(=O)[C@@H]([C@]3([C@H]4[C@@H]2C4)C)O)[C@](CC5=C6C=C1C(=O)[C@@H]([C@]6([C@H]7[C@@H]5C7)C)O)(C)C(=O)OC)C(=O)OC

1 reference

CHEBI:69788 (English)

7 October 2016

found in taxon

Chloranthus japonicus

1 reference

Lindenane disesquiterpenoids with anti-HIV-1 activity from Chloranthus japonicus

Chloranthus serratus

2 references

Symmetric sesquiterpene dimer from Chloranthus serratus

Lindenane disesquiterpenoids with anti-HIV-1 activity from Chloranthus japonicus

Identifiers

InChI

InChI=1S/C32H36O8/c1-29(27(37)39-5)11-15-13-7-17(13)32(4)20(15)10-22(24(34)26(32)36)30(2,28(38)40-6)12-16-14-8-18(14)31(3)19(16)9-21(29)23(33)25(31)35/h9-10,13-14,17-18,25-26,35-36H,7-8,11-12H2,1-6H3/t13-,14-,17-,18-,25+,26+,29-,30-,31+,32+/m1/s1

1 reference

CHEBI:69788 (English)

YSPXFYFVBVEVBW-WCQVQBNASA-N

7 October 2016

InChIKey

2 references

CHEBI:69788 (English)

7 October 2016

ChEBI release 2020-09-01

1 reference

CYCLOSHIZUKAOl (English)

7 October 2016

2 references

CHEBI:69788 (English)

matched by identifier from

7 October 2016

InChIKey

YSPXFYFVBVEVBW-WCQVQBNASA-N

ChEBI ID

69788

mapping relation type

2 references

cycloshizukaol A (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C32H36O8/c1-29(27(37)39-5)11-15-13-7-17(13)32(4)20(15)10-22(24(34)26(32)36)30(2,28(38)40-6)12-16-14-8-18(14)31(3)19(16)9-21(29)23(33)25(31)35/h9-10,13-14,17-18,25-26,35-36H,7-8,11-12H2,1-6H3/t13-,14-,17-,18-,25+,26+,29-,30-,31+,32+/m1/s1

1 reference