(Q104667842)

English

2beta,9,12,12-Tetramethyl-4aalpha-(acetoxymethyl)-10-oxo-1,2,3,3aalpha,4,4a,5,8,8abeta,9,10,10a-dodecahydro-9beta,8beta-(epoxymethano)benzo[f]azulene-3beta,4alpha,5beta,10abeta-tetrol 3,5,10a-triacetate 4-benzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[4,7,15-Triacetyloxy-1-(acetyloxymethyl)-5,9,11,11-tetramethyl-8-oxo-10-oxatetracyclo[7.6.1.03,7.012,16]hexadec-13-en-2-yl] benzoate

1 reference

based on heuristic

inferred from SMILES

mass

654.267626784 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₄₂O₁₂

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canonical SMILES

O=C(OC1C2C(OC(=O)C)C(C)CC2(OC(=O)C)C(=O)C3(OC(C)(C)C4C=CC(OC(=O)C)C1(COC(=O)C)C43)C)C=5C=CC=CC5

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isomeric SMILES

CC(=O)OC[C@]12[C@@H](OC(C)=O)C=C[C@@H]3[C@@H]1[C@@](C)(OC3(C)C)C(=O)[C@]1(OC(C)=O)C[C@@H](C)[C@@H](OC(C)=O)[C@H]1[C@@H]2OC(=O)c1ccccc1

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found in taxon

Euphorbia decipiens

1 reference

stated in

Eight New Diterpenoids fromEuphorbia decipiens

Euphorbia polycaulis

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stated in

Eight New Diterpenoids fromEuphorbia decipiens

Identifiers

InChI

InChI=1S/C35H42O12/c1-18-16-35(46-22(5)39)26(27(18)44-21(4)38)29(45-30(40)23-12-10-9-11-13-23)34(17-42-19(2)36)25(43-20(3)37)15-14-24-28(34)33(8,31(35)41)47-32(24,6)7/h9-15,18,24-29H,16-17H2,1-8H3/t18-,24-,25+,26+,27-,28-,29+,33-,34+,35+/m1/s1

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InChIKey

CCSHWFLIKVLJHY-MSIWOPRDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CCSHWFLIKVLJHY-MSIWOPRDSA-N

1 reference

(Q104667842)

2beta,9,12,12-Tetramethyl-4aalpha-(acetoxymethyl)-10-oxo-1,2,3,3aalpha,4,4a,5,8,8abeta,9,10,10a-dodecahydro-9beta,8beta-(epoxymethano)benzo[f]azulene-3beta,4alpha,5beta,10abeta-tetrol 3,5,10a-triacetate 4-benzoate

Statements

Identifiers

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