(Q105032615)

English

[(1'S,2R,2'S,3'R,5'S,7'S,8'S,9'R,10'R,13'S)-2',7',9',10',13'-pentaacetyloxy-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-5'-yl] (E)-3-phenylprop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(2',7',9',10',13'-Pentaacetyloxy-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-5'-yl) 3-phenylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

740.304406216 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₄₈O₁₄

0 references

canonical SMILES

O=C(OC1CC(OC(=O)C)C2(C)C(OC(=O)C)C(OC(=O)C)C3=C(C)C(OC(=O)C)CC(O)(C(OC(=O)C)C2C41OC4)C3(C)C)C=CC=5C=CC=CC5

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isomeric SMILES

CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(C)=O)[C@H]3[C@@](C)([C@@H](OC(C)=O)C[C@H](OC(=O)/C=C/c4ccccc4)[C@]34CO4)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C

0 references

found in taxon

Taxus cuspidata

1 reference

stated in

Four Novel Taxane Diterpenoids from the Needles of Japanese Yew, Taxus cuspidata

Identifiers

InChI

InChI=1S/C39H48O14/c1-20-27(48-21(2)40)18-39(46)35(52-25(6)44)33-37(9,34(51-24(5)43)32(50-23(4)42)31(20)36(39,7)8)28(49-22(3)41)17-29(38(33)19-47-38)53-30(45)16-15-26-13-11-10-12-14-26/h10-16,27-29,32-35,46H,17-19H2,1-9H3/b16-15+/t27-,28-,29-,32+,33-,34-,35-,37+,38+,39+/m0/s1

0 references

InChIKey

HRDZRYUEJYVACC-GJVCWSHMSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105032615)

[(1'S,2R,2'S,3'R,5'S,7'S,8'S,9'R,10'R,13'S)-2',7',9',10',13'-pentaacetyloxy-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-5'-yl] (E)-3-phenylprop-2-enoate

Statements

Identifiers

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