(Q104955376)

English

[(1R,3R,4S,5S,7S,10S,11S,12R,14S)-4,11,12-triacetyloxy-1-hydroxy-10,14,17-trimethyl-6-methylidene-16-oxatetracyclo[11.3.1.03,14.05,10]heptadec-13(17)-en-7-yl] (E)-3-phenylprop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[(3R,4R,5R,7S,10R,12R)-4,11,12-triacetyloxy-1-hydroxy-10,14,17-trimethyl-6-methylidene-16-oxatetracyclo[11.3.1.03,14.05,10]heptadec-13(17)-en-7-yl] (E)-3-phenylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

(4,11,12-Triacetyloxy-1-hydroxy-10,14,17-trimethyl-6-methylidene-16-oxatetracyclo[11.3.1.03,14.05,10]heptadec-13(17)-en-7-yl) 3-phenylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

622.277797544 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,3R,4R,5R,7S,10R,11R,12R,14S)-4,11,12-triacetyloxy-1-hydroxy-10,14,17-trimethyl-6-methylidene-16-oxatetracyclo[11.3.1.03,14.05,10]heptadec-13(17)-en-7-yl] (E)-3-phenylprop-2-enoate

2 references

based on heuristic

inferred from InChIKey

1 reference

C₃₅H₄₂O₁₀

0 references

canonical SMILES

O=C(OC1C(=C)C2C(OC(=O)C)C3CC4(O)OCC3(C(=C4C)C(OC(=O)C)C(OC(=O)C)C2(C)CC1)C)C=CC=5C=CC=CC5

0 references

isomeric SMILES

C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@]4(O)C[C@@H]([C@H](OC(C)=O)[C@@H]12)[C@]3(C)CO4

0 references

found in taxon

Taxus cuspidata

1 reference

stated in

Biological activity and chemistry of taxoids from the Japanese yew, Taxus cuspidata.

Identifiers

InChI

InChI=1S/C35H42O10/c1-19-26(45-27(39)14-13-24-11-9-8-10-12-24)15-16-33(6)28(19)30(42-21(3)36)25-17-35(40)20(2)29(34(25,7)18-41-35)31(43-22(4)37)32(33)44-23(5)38/h8-14,25-26,28,30-32,40H,1,15-18H2,2-7H3/b14-13+/t25-,26-,28+,30-,31+,32+,33-,34-,35+/m0/s1

0 references

InChIKey

CEAAWQZVSISBFI-SFFJLRLBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CEAAWQZVSISBFI-SFFJLRLBSA-N

(Q104955376)

[(1R,3R,4S,5S,7S,10S,11S,12R,14S)-4,11,12-triacetyloxy-1-hydroxy-10,14,17-trimethyl-6-methylidene-16-oxatetracyclo[11.3.1.03,14.05,10]heptadec-13(17)-en-7-yl] (E)-3-phenylprop-2-enoate

Statements

Identifiers

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