(Q104247055)

English

(1R,2R,3R,5S,7S,8S,9R,10R)-2,7,9,10-tetrakis(acetyloxy)-8,12,15,15-tetramethyl-4-methylidene-13-oxotricyclo[9.3.1.0³,⁸]pentadec-11-en-5-yl (2E)-3-phenylprop-2-enoate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

664.288362228 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₄₄O₁₁

0 references

canonical SMILES

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

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

0 references

found in taxon

Taxus cuspidata

9 references

stated in

A Brief Survey of Taxus Alkaloids and Other Taxane Derivatives

stated in

A taxoid from the needles of the Japanese yew, Taxus cuspidata

stated in

Taxuspines E ∼ H and J, new taxoids from the Japanese yew Taxus cuspidata

stated in

A taxoid from the needles of the Japanese yew, Taxus cuspidata

stated in

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

stated in

Effects of taxoids from Taxus cuspidata on microtubule depolymerization and vincristine accumulation in MDR cells

stated in

Absolute Structure of 2'-Desacetoxyaustrospicatine Established by X-Ray Analysis and Circular Dichroism Spectroscopy.

stated in

A Novel Rearranged Taxoid from Needles of the Japanese Yew, Taxus cuspidata Sieb. et Zucc

stated in

A Yew in Israel, New Taxane Derivatives

Taxus baccata

3 references

stated in

Taxanes from rooted cuttings of Taxus canadensis

stated in

A yew in Israel, new taxane derivatives

stated in

A Yew in Israel, New Taxane Derivatives

Taxus canadensis

1 reference

stated in

Novel taxanes from the needles of Taxus canadensis

Taxus wallichiana var. chinensis

1 reference

stated in

Multidrug resistant cancer cells susceptibility to cytotoxic taxane diterpenes from Taxus yunnanensis and Taxus chinensis

Taxus wallichiana

4 references

stated in

Dantaxusins A and B, two new taxoids from Taxus yunnanensis.

stated in

Dantaxusins C and D, two novel taxoids from Taxus yunnanensis.

stated in

New taxane diterpenoids from the leaves and twigs of Taxus sumatrana

stated in

Diterpenes and sesquiterpenes from the bark of Taxus yunnanensis

Identifiers

InChI

InChI=1S/C37H44O11/c1-19-27(42)17-26-33(45-22(4)39)32-20(2)28(48-30(43)16-15-25-13-11-10-12-14-25)18-29(44-21(3)38)37(32,9)35(47-24(6)41)34(46-23(5)40)31(19)36(26,7)8/h10-16,26,28-29,32-35H,2,17-18H2,1,3-9H3/b16-15+/t26-,28-,29-,32-,33+,34+,35-,37+/m0/s1

0 references

InChIKey

SLJNSLIEGINNEE-UWUOQQJISA-N

0 references

1 reference

26 December 2021

1 reference

MassBank accession ID

MSBNK-RIKEN_ReSpect-PM000831

1 reference

InChIKey

SLJNSLIEGINNEE-UWUOQQJISA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

(Q104247055)

(1R,2R,3R,5S,7S,8S,9R,10R)-2,7,9,10-tetrakis(acetyloxy)-8,12,15,15-tetramethyl-4-methylidene-13-oxotricyclo[9.3.1.0³,⁸]pentadec-11-en-5-yl (2E)-3-phenylprop-2-enoate

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