(Q105352615)

English

[(1S,2R,3R,5S,7R,8S,9R,10S,11S)-2,7,9,10,13-pentaacetyloxy-11-hydroxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-12-enyl] (E)-3-phenylprop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(2,7,9,10,13-Pentaacetyloxy-11-hydroxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-12-enyl) 3-phenylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

724.309491596 dalton

1 reference

1 reference

C₃₉H₄₈O₁₃

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canonical SMILES

O=C(OC1C(=C)C2C(OC(=O)C)C3CC(OC(=O)C)=C(C)C(O)(C(OC(=O)C)C(OC(=O)C)C2(C)C(OC(=O)C)C1)C3(C)C)C=CC=4C=CC=CC4

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isomeric SMILES

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

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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/C39H48O13/c1-20-29(52-32(45)17-16-27-14-12-11-13-15-27)19-31(48-23(4)41)38(10)33(20)34(49-24(5)42)28-18-30(47-22(3)40)21(2)39(46,37(28,8)9)36(51-26(7)44)35(38)50-25(6)43/h11-17,28-29,31,33-36,46H,1,18-19H2,2-10H3/b17-16+/t28-,29+,31-,33+,34-,35+,36+,38-,39+/m1/s1

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InChIKey

YQWATTVJPRZZEE-HUEIKXKMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YQWATTVJPRZZEE-HUEIKXKMSA-N

(Q105352615)

[(1S,2R,3R,5S,7R,8S,9R,10S,11S)-2,7,9,10,13-pentaacetyloxy-11-hydroxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-12-enyl] (E)-3-phenylprop-2-enoate

Statements

Identifiers

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