(Q105173602)

English

[(2R,4R,5S,5aR,6R,8R,9aR,10aS)-2,5,6-triacetyloxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-9-methylidene-8-[(E)-3-phenylprop-2-enoyl]oxy-2,4,5,6,7,8,9a,10-octahydro-1H-benzo[g]azulen-4-yl] benzoate

chemical compound

In more languages

edit

Statements

instance of

type of chemical entity

0 references

subclass of

[(4R,5R,5aS,6S,8S,9aR,10aS)-2,5,6-triacetyloxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-9-methylidene-8-[(E)-3-phenylprop-2-enoyl]oxy-2,4,5,6,7,8,9a,10-octahydro-1H-benzo[g]azulen-4-yl] benzoate

1 reference

based on heuristic

inferred from SMILES

[2,5,6-triacetyloxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-9-methylidene-8-(3-phenylprop-2-enoyloxy)-2,4,5,6,7,8,9a,10-octahydro-1H-benzo[g]azulen-4-yl] benzoate

1 reference

based on heuristic

inferred from SMILES

mass

728.319662356 dalton

1 reference

1 reference

C₄₂H₄₈O₁₁

0 references

canonical SMILES

O=C(OC1C(=C)C2CC3(C(=C(C)C(OC(=O)C)C3)C(OC(=O)C=4C=CC=CC4)C(OC(=O)C)C2(C)C(OC(=O)C)C1)C(O)(C)C)C=CC=5C=CC=CC5

0 references

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(=O)c3ccccc3)C3=C(C)[C@H](OC(C)=O)C[C@@]3(C(C)(C)O)C[C@H]12

0 references

found in taxon

Taxus brevifolia

1 reference

stated in

Taxuspines A ∼ C, new taxoids from Japanese yew Taxus cuspidata inhibiting drug transport activity of P-glycoprotein in multidrug-resistant cells

Taxus cuspidata

1 reference

stated in

Taxuspines A ∼ C, new taxoids from Japanese yew Taxus cuspidata inhibiting drug transport activity of P-glycoprotein in multidrug-resistant cells

Identifiers

InChI

InChI=1S/C42H48O11/c1-24-31-22-42(40(6,7)48)23-33(49-26(3)43)25(2)36(42)37(53-39(47)30-17-13-10-14-18-30)38(51-28(5)45)41(31,8)34(50-27(4)44)21-32(24)52-35(46)20-19-29-15-11-9-12-16-29/h9-20,31-34,37-38,48H,1,21-23H2,2-8H3/b20-19+/t31-,32-,33-,34-,37-,38-,41-,42+/m1/s1

0 references

InChIKey

MWIQLLBFLJOMOS-DZESDFFMSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105173602)

[(2R,4R,5S,5aR,6R,8R,9aR,10aS)-2,5,6-triacetyloxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-9-methylidene-8-[(E)-3-phenylprop-2-enoyl]oxy-2,4,5,6,7,8,9a,10-octahydro-1H-benzo[g]azulen-4-yl] benzoate

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)