(Q105278149)

English

[(2R,3E,5S,7S,8E,10S,11R,13S)-2,3,5,10-tetraacetyloxy-7-hydroxy-8-(hydroxymethyl)-4,14,15,15-tetramethyl-13-bicyclo[9.3.1]pentadeca-1(14),3,8-trienyl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

verticillane diterpenoid

1 reference

based on heuristic

inferred from SMILES

mass

594.267626784 dalton

1 reference

1 reference

inferred from InChIKey

5-Epicanadensene

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(2R,3Z,5S,7R,8E,10S,11S,13S)-2,3,5,10-tetraacetyloxy-7-hydroxy-8-(hydroxymethyl)-4,14,15,15-tetramethyl-13-bicyclo[9.3.1]pentadeca-1(14),3,8-trienyl] acetate

1 reference

based on heuristic

inferred from InChI

[(2R,3Z,5S,7S,8E,10S,11S,13S)-2,3,5,10-tetraacetyloxy-7-hydroxy-8-(hydroxymethyl)-4,14,15,15-tetramethyl-13-bicyclo[9.3.1]pentadeca-1(14),3,8-trienyl] acetate

1 reference

based on heuristic

inferred from InChI

[(2R,3E,5S,7S,8Z,10S,11R,13S)-2,3,5,10-tetraacetyloxy-7-hydroxy-8-(hydroxymethyl)-4,14,15,15-tetramethyl-13-bicyclo[9.3.1]pentadeca-1(14),3,8-trienyl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₂O₁₂

0 references

canonical SMILES

O=C(OC1=C(C)C(OC(=O)C)CC(O)C(=CC(OC(=O)C)C2CC(OC(=O)C)C(=C(C1OC(=O)C)C2(C)C)C)CO)C

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isomeric SMILES

CC(=O)O/C1=C(\C)[C@@H](OC(C)=O)C[C@H](O)/C(CO)=C/[C@H](OC(C)=O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@H]1OC(C)=O)C2(C)C

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found in taxon

Taxus canadensis

1 reference

stated in

Isolation of a putative biogenetic taxane precursor from Taxus canadensis needles

Taxus sumatrana

1 reference

stated in

Novel taxane diterpenes from Taxus sumatrana with the first C-21 taxane ester

Taxus wallichiana

1 reference

stated in

Novel taxane diterpenes from Taxus sumatrana with the first C-21 taxane ester

Identifiers

InChI

InChI=1S/C30H42O12/c1-14-24(38-16(3)32)11-22-26(40-18(5)34)10-21(13-31)23(37)12-25(39-17(4)33)15(2)28(41-19(6)35)29(42-20(7)36)27(14)30(22,8)9/h10,22-26,29,31,37H,11-13H2,1-9H3/b21-10+,28-15+/t22-,23-,24-,25-,26-,29+/m0/s1

0 references

InChIKey

USDGRBIQBGVGOS-KBNNHJHNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

USDGRBIQBGVGOS-KBNNHJHNSA-N

(Q105278149)

[(2R,3E,5S,7S,8E,10S,11R,13S)-2,3,5,10-tetraacetyloxy-7-hydroxy-8-(hydroxymethyl)-4,14,15,15-tetramethyl-13-bicyclo[9.3.1]pentadeca-1(14),3,8-trienyl] acetate

Statements

Identifiers

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