(Q105346225)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

[15-(5,5-Dimethoxypentan-2-yl)-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

488.386560144 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₂O₄

0 references

canonical SMILES

O=C(OC1CCC23CC43CCC5(C)C(CCC5(C)C4CCC2C1(C)C)C(C)CCC(OC)OC)C

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isomeric SMILES

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

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found in taxon

Euphorbia oxyphylla

1 reference

stated in

Triterpenes from Euphorbia broteri

Identifiers

InChI

InChI=1S/C31H52O4/c1-20(9-12-26(33-7)34-8)22-13-15-29(6)24-11-10-23-27(3,4)25(35-21(2)32)14-16-30(23)19-31(24,30)18-17-28(22,29)5/h20,22-26H,9-19H2,1-8H3/t20-,22-,23+,24+,25+,28-,29+,30-,31+/m1/s1

0 references

InChIKey

YCEMGPUWGFJIFS-CHIINMNOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YCEMGPUWGFJIFS-CHIINMNOSA-N

(Q105346225)

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

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Identifiers

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