(Q105219101)

English

[(1S,3R,6S,7S,8R,11R,12S,15R,16R)-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Cycloeucalenol acetate

1 reference

based on heuristic

inferred from SMILES

[(6S,7S,15R)-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

468.396730904 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,3R,6S,7S,8S,11S,12S,15R,16R)-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate

1 reference

based on heuristic

inferred from InChIKey

[(1S,3R,6S,7S,8S,11R,12S,15R,16R)-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate

1 reference

based on heuristic

inferred from InChI

[(1R,3R,6S,7S,8R,11R,12S,15R,16R)-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₅₂O₂

0 references

canonical SMILES

O=C(OC1CCC23CC43CCC5(C)C(CCC5(C)C4CCC2C1C)C(C)CCC(=C)C(C)C)C

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isomeric SMILES

C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C

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found in taxon

Digitalis purpurea

1 reference

stated in

The sterols and tetracyclic triterpenoids of Digitalis purpurea L. seeds

Identifiers

InChI

InChI=1S/C32H52O2/c1-20(2)21(3)9-10-22(4)25-13-15-30(8)28-12-11-26-23(5)27(34-24(6)33)14-16-31(26)19-32(28,31)18-17-29(25,30)7/h20,22-23,25-28H,3,9-19H2,1-2,4-8H3/t22-,23+,25-,26-,27+,28-,29-,30+,31-,32+/m1/s1

0 references

InChIKey

QEBAXZCXAFWBDK-IASDLFFSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QEBAXZCXAFWBDK-IASDLFFSSA-N

(Q105219101)

[(1S,3R,6S,7S,8R,11R,12S,15R,16R)-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate

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Identifiers

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