(Q27136257)

Trigonosin A (English)

7 October 2016

chemical formula

C₃₄H₃₈O₉

1 reference

Trigonosin A (English)

7 October 2016

canonical SMILES

CC1CC2C34C(C(C5(C(C3C6C(O6)(C(C2(C1O)O)O)C)OC(O4)(O5)C7=CC=CC=C7)C(=C)C)OC(=O)C8=CC=CC=C8)C

1 reference

Trigonosin A (English)

7 October 2016

isomeric SMILES

C[C@H]1C[C@H]2[C@@]34[C@@H]([C@@H]([C@]5([C@@H]([C@@H]3[C@H]6[C@](O6)([C@H]([C@@]2([C@H]1O)O)O)C)OC(O4)(O5)C7=CC=CC=C7)C(=C)C)OC(=O)C8=CC=CC=C8)C

1 reference

Trigonosin A (English)

Trigonostemon thyrsoideus

7 October 2016

found in taxon

1 reference

stated in

Trigonosins A-F, daphnane diterpenoids from Trigonostemon thyrsoideum

Trigonostemon philippinensis

1 reference

stated in

Trigonosins A-F, daphnane diterpenoids from Trigonostemon thyrsoideum

Identifiers

InChI

InChI=1S/C34H38O9/c1-17(2)32-25(39-28(36)20-12-8-6-9-13-20)19(4)33-22-16-18(3)24(35)31(22,38)29(37)30(5)26(40-30)23(33)27(32)41-34(42-32,43-33)21-14-10-7-11-15-21/h6-15,18-19,22-27,29,35,37-38H,1,16H2,2-5H3/t18-,19+,22+,23-,24-,25-,26-,27+,29+,30-,31+,32-,33-,34?/m0/s1

1 reference

Trigonosin A (English)

VOVLVSQLMDTVFG-IHORLDMESA-N

7 October 2016

InChIKey

2 references

Trigonosin A (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(1R,2R,4S,5S,6R,7S,8R,10S,11S,12R,16S,17S,18R)-5,6,7-Trihydroxy-16-isopropenyl-4,8,18-trimethyl-14-phenyl-9,13,15,19-tetraoxahexacyclo[12.4.1.0~1,11~.0~2,6~.0~8,10~.0~12,16~]nonadec-17-yl benzoate (English)

7 October 2016

1 reference