(Q105272857)

English

3-[3-Hydroxy-2-(5-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl)-2,3-dimethyl-6-(1-oxopropan-2-ylidene)cyclohexyl]propyl tetradecanoate

group of stereoisomers with the chemical formula C₄₄H₇₆O₅

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Statements

group of stereoisomers

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iridal triterpenoid

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iridal triterpenoid

684.569275532 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₄H₇₆O₅

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canonical SMILES

O=CC(=C1CCC(O)(C)C(C)(CCC=C(C)C(O)CC=C(C)CCC=C(C)C)C1CCCOC(=O)CCCCCCCCCCCCC)C

0 references

1 reference

Iristectorenes A and C-G, monocyclic triterpene esters from Iris tectorum

Identifiers

InChI=1S/C44H76O5/c1-9-10-11-12-13-14-15-16-17-18-19-27-42(47)49-33-22-26-40-39(38(6)34-45)30-32-44(8,48)43(40,7)31-21-25-37(5)41(46)29-28-36(4)24-20-23-35(2)3/h23,25,28,34,40-41,46,48H,9-22,24,26-27,29-33H2,1-8H3

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UHFDAENQNSFKSB-UHFFFAOYSA-N

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2 references

2 January 2023

based on heuristic

inferred from InChIKey

matched by identifier from

UHFDAENQNSFKSB-UHFFFAOYSA-N

UniChem compound ID

1 reference

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