(Q105269011)

English

[(1S,2S,3aR,4S,5S,6E,9S,10R,11R,12S,13E)-3a,4,9,10-tetraacetyloxy-11-benzoyloxy-12-hydroxy-2,5,8,8,12-pentamethyl-1,2,3,4,5,9,10,11-octahydrocyclopenta[12]annulen-1-yl] benzoate

chemical compound

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instance of

type of chemical entity

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subclass of

(3a,4,9,10-Tetraacetyloxy-11-benzoyloxy-12-hydroxy-2,5,8,8,12-pentamethyl-1,2,3,4,5,9,10,11-octahydrocyclopenta[12]annulen-1-yl) benzoate

1 reference

based on heuristic

inferred from SMILES

mass

762.32514166 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₅₀O₁₃

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canonical SMILES

O=C(OC1C2=CC(O)(C)C(OC(=O)C=3C=CC=CC3)C(OC(=O)C)C(OC(=O)C)C(C=CC(C)C(OC(=O)C)C2(OC(=O)C)CC1C)(C)C)C=4C=CC=CC4

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isomeric SMILES

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](OC(=O)c2ccccc2)[C@@](C)(O)/C=C2\[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]2(OC(C)=O)[C@@H](OC(C)=O)[C@@H](C)/C=C/C1(C)C

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found in taxon

Euphorbia serrula

1 reference

stated in

Discovery and biological evaluation of a new family of potent modulators of multidrug resistance: reversal of multidrug resistance of mouse lymphoma cells by new natural jatrophane diterpenoids isolated from Euphorbia species

Euphorbia bifida

1 reference

stated in

Discovery and biological evaluation of a new family of potent modulators of multidrug resistance: reversal of multidrug resistance of mouse lymphoma cells by new natural jatrophane diterpenoids isolated from Euphorbia species

Euphorbia hyssopifolia

1 reference

stated in

Discovery and biological evaluation of a new family of potent modulators of multidrug resistance: reversal of multidrug resistance of mouse lymphoma cells by new natural jatrophane diterpenoids isolated from Euphorbia species

Euphorbia serrulata

1 reference

stated in

Discovery and biological evaluation of a new family of potent modulators of multidrug resistance: reversal of multidrug resistance of mouse lymphoma cells by new natural jatrophane diterpenoids isolated from Euphorbia species

Euphorbia stricta

1 reference

stated in

Discovery and biological evaluation of a new family of potent modulators of multidrug resistance: reversal of multidrug resistance of mouse lymphoma cells by new natural jatrophane diterpenoids isolated from Euphorbia species

Identifiers

InChI

InChI=1S/C42H50O13/c1-24-20-21-40(7,8)36(52-28(5)45)34(50-26(3)43)37(54-39(48)31-18-14-11-15-19-31)41(9,49)23-32-33(53-38(47)30-16-12-10-13-17-30)25(2)22-42(32,55-29(6)46)35(24)51-27(4)44/h10-21,23-25,33-37,49H,22H2,1-9H3/b21-20+,32-23+/t24-,25-,33-,34+,35-,36+,37+,41-,42+/m0/s1

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InChIKey

UASAPDRSKOIWJE-PNZDYJDLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UASAPDRSKOIWJE-PNZDYJDLSA-N

1 reference

(Q105269011)

[(1S,2S,3aR,4S,5S,6E,9S,10R,11R,12S,13E)-3a,4,9,10-tetraacetyloxy-11-benzoyloxy-12-hydroxy-2,5,8,8,12-pentamethyl-1,2,3,4,5,9,10,11-octahydrocyclopenta[12]annulen-1-yl] benzoate

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Identifiers

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