(Q105297225)

English

[(1R,2S,3E,5S,7S,8S,10R,13S)-2,13-diacetyloxy-7,10-dihydroxy-8,12,15,15-tetramethyl-9-oxo-5-tricyclo[9.3.1.14,8]hexadeca-3,11-dienyl] (E)-3-phenylprop-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(2,13-Diacetyloxy-7,10-dihydroxy-8,12,15,15-tetramethyl-9-oxo-5-tricyclo[9.3.1.14,8]hexadeca-3,11-dienyl) 3-phenylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

580.26723286 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₃H₄₀O₉

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canonical SMILES

O=C(OC1C2=CC(OC(=O)C)C3CC(OC(=O)C)C(=C(C(O)C(=O)C(C)(C2)C(O)C1)C3(C)C)C)C=CC=4C=CC=CC4

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isomeric SMILES

CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)/C=C3\C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](O)C[C@@H]3OC(=O)/C=C/c1ccccc1

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found in taxon

Taxus cuspidata

3 references

stated in

Taxoids from Taxus cuspidata var. nana

stated in

Taxoids from Taxus cuspidata var. nana

stated in

Taxoids from Taxus cuspidata var. nana

Identifiers

InChI

InChI=1S/C33H40O9/c1-18-24(40-19(2)34)15-23-26(41-20(3)35)14-22-17-33(6,31(39)30(38)29(18)32(23,4)5)27(36)16-25(22)42-28(37)13-12-21-10-8-7-9-11-21/h7-14,23-27,30,36,38H,15-17H2,1-6H3/b13-12+,22-14+/t23-,24-,25-,26-,27-,30+,33-/m0/s1

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InChIKey

VUHNOTKLJFCHFO-IHNXBZDVSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

VUHNOTKLJFCHFO-IHNXBZDVSA-N

1 reference

(Q105297225)

[(1R,2S,3E,5S,7S,8S,10R,13S)-2,13-diacetyloxy-7,10-dihydroxy-8,12,15,15-tetramethyl-9-oxo-5-tricyclo[9.3.1.14,8]hexadeca-3,11-dienyl] (E)-3-phenylprop-2-enoate

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