(Q105306754)

English

[(1S,3R,5R,6aS,7S,8S,9R,10R,10aS)-1,3,10-triacetyloxy-5-methoxy-7,8-dimethyl-7-[(2Z)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-9-yl] butanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[1,3,10-Triacetyloxy-5-methoxy-7,8-dimethyl-7-(3-methylpenta-2,4-dienyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-9-yl] butanoate

1 reference

based on heuristic

inferred from SMILES

mass

576.293447608 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,3R,5R,6aS,7S,8S,9R,10S,10aS)-1,3,10-triacetyloxy-5-methoxy-7,8-dimethyl-7-[(2Z)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-9-yl] butanoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,3R,5R,6aR,7R,8R,9S,10S,10aR)-1,3,10-triacetyloxy-5-methoxy-7,8-dimethyl-7-[(2Z)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-9-yl] butanoate

2 references

based on heuristic

inferred from InChIKey

1 reference

C₃₁H₄₄O₁₀

0 references

canonical SMILES

O=C(OC1OC(OC(=O)C)C23C1=CC(OC)CC2C(C)(CC=C(C=C)C)C(C)C(OC(=O)CCC)C3OC(=O)C)C

0 references

isomeric SMILES

C=C/C(C)=C\C[C@]1(C)[C@H](C)[C@@H](OC(=O)CCC)[C@H](OC(C)=O)[C@@]23C(=C[C@H](OC)C[C@@H]12)[C@@H](OC(C)=O)O[C@H]3OC(C)=O

0 references

found in taxon

Casearia sylvestris

2 references

stated in

Casearin X, its degradation product and other clerodane diterpenes from leaves of Casearia sylvestris: evaluation of cytotoxicity against normal and tumor human cells.

stated in

New antitumor principles, casearins A-F, for Casearia sylvestris Sw. (Flacourtiaceae)

Identifiers

InChI

InChI=1S/C31H44O10/c1-10-12-25(35)40-26-18(4)30(8,14-13-17(3)11-2)24-16-22(36-9)15-23-28(38-20(6)33)41-29(39-21(7)34)31(23,24)27(26)37-19(5)32/h11,13,15,18,22,24,26-29H,2,10,12,14,16H2,1,3-9H3/b17-13-/t18-,22+,24+,26-,27+,28+,29-,30-,31-/m1/s1

0 references

InChIKey

WJFSBKDDKDZRMR-FSNPUOHESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WJFSBKDDKDZRMR-FSNPUOHESA-N

(Q105306754)

[(1S,3R,5R,6aS,7S,8S,9R,10R,10aS)-1,3,10-triacetyloxy-5-methoxy-7,8-dimethyl-7-[(2Z)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-9-yl] butanoate

Statements

Identifiers

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