(Q110177235)

English

[(1S,2S,4R,8R,9S,10Z,12R)-11-[[(2R,3S,4R,5R)-3-acetyloxy-4,5-dihydroxyoxan-2-yl]oxymethyl]-12-methoxy-1,5-dimethyl-8-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-5,10,13-trien-2-yl] 3-(1-methylimidazol-4-yl)prop-2-enoate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

eunicellane diterpenoid

1 reference

based on heuristic

inferred from SMILES

mass

656.330895736 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2S,4R,8R,9R,10Z,12R)-11-[[(2S,3S,4S,5S)-3-acetyloxy-4,5-dihydroxyoxan-2-yl]oxymethyl]-12-methoxy-1,5-dimethyl-8-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-5,10,13-trien-2-yl] (E)-3-(1-methylimidazol-4-yl)prop-2-enoate

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,2S,4R,8R,9R,10Z,12R)-11-[[(2R,3R,4S,5R)-3-acetyloxy-4,5-dihydroxyoxan-2-yl]oxymethyl]-12-methoxy-1,5-dimethyl-8-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-5,10,13-trien-2-yl] (Z)-3-(1-methylimidazol-4-yl)prop-2-enoate

2 references

based on heuristic

inferred from InChIKey

1 reference

C₃₅H₄₈N₂O₁₀

0 references

canonical SMILES

O=C(OC1CC2C(=CCC(C2C=C(COC3OCC(O)C(O)C3OC(=O)C)C4(OC)OC1(C=C4)C)C(C)C)C)C=CC=5N=CN(C5)C

0 references

isomeric SMILES

CO[C@]12C=C[C@](C)(O1)[C@@H](OC(=O)C=Cc1cn(C)cn1)C[C@H]1C(C)=CC[C@H](C(C)C)[C@H]1/C=C\2CO[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1OC(C)=O

0 references

found in taxon

Parasphaerasclera albiflora

1 reference

stated in

(Z)-Sarcodictyin A, a New Highly Cytotoxic Diterpenoid from the Soft Coral Bellonella albiflora

Identifiers

InChI

InChI=1S/C35H48N2O10/c1-20(2)25-10-8-21(3)26-15-29(46-30(40)11-9-24-16-37(6)19-36-24)34(5)12-13-35(42-7,47-34)23(14-27(25)26)17-43-33-32(45-22(4)38)31(41)28(39)18-44-33/h8-9,11-14,16,19-20,25-29,31-33,39,41H,10,15,17-18H2,1-7H3/b11-9?,23-14-/t25-,26+,27-,28-,29+,31-,32+,33-,34+,35-/m1/s1

0 references

InChIKey

XOPYFXBZMVTEJF-LSCQFNEXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XOPYFXBZMVTEJF-LSCQFNEXSA-N

(Q110177235)

[(1S,2S,4R,8R,9S,10Z,12R)-11-[[(2R,3S,4R,5R)-3-acetyloxy-4,5-dihydroxyoxan-2-yl]oxymethyl]-12-methoxy-1,5-dimethyl-8-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-5,10,13-trien-2-yl] 3-(1-methylimidazol-4-yl)prop-2-enoate

Statements

Identifiers

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