(Q104392048)

English

Sitostanol ferulate

group of stereoisomers with the chemical formula C₃₉H₆₀O₄

In more languages

Statements

group of stereoisomers

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stigmastan-type steroid

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stigmastan-type steroid

alkyl caffeate ester

1 reference

alkyl caffeate ester

592.4491604 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₆₀O₄

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canonical SMILES

O=C(OC1CCC2(C)C(CCC3C4CCC(C(C)CCC(CC)C(C)C)C4(C)CCC32)C1)C=CC5=CC=C(O)C(OC)=C5

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isomeric SMILES

CC[C@H](CC[C@@H](C)[C@H]1CCC2C3CC[C@H]4C[C@@H](OC(=O)/C=C/c5ccc(O)c(OC)c5)CC[C@]4(C)C3CC[C@@]21C)C(C)C

0 references

1 reference

Quantitation of steryl ferulate and p-coumarate esters from corn and rice

Identifiers

InChI=1S/C39H60O4/c1-8-28(25(2)3)12-9-26(4)32-15-16-33-31-14-13-29-24-30(19-21-38(29,5)34(31)20-22-39(32,33)6)43-37(41)18-11-27-10-17-35(40)36(23-27)42-7/h10-11,17-18,23,25-26,28-34,40H,8-9,12-16,19-22,24H2,1-7H3/b18-11+/t26-,28-,29+,30+,31?,32-,33?,34?,38+,39-/m1/s1

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RAKOKKNCCBUUMP-OCZIXQBLSA-N

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2 references

26 December 2021

matched by identifier from

RAKOKKNCCBUUMP-OCZIXQBLSA-N

UniChem compound ID

1 reference

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

RAKOKKNCCBUUMP-OCZIXQBLSA-N

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