(Q105186266)

English

2-methoxy-4-[(1E)-3-[[(6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]buta-1,3-dienyl]phenol

group of stereoisomers with the chemical formula C₄₁H₆₀O₃

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Statements

instance of

group of stereoisomers

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subclass of

cycloartane triterpenoid

1 reference

inferred from

cycloartane triterpenoid

mass

600.45424578 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₄₁H₆₀O₃

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canonical SMILES

OC1=CC=C(C=CC(OC2CCC34CC54CCC6(C)C(CCC6(C)C5CCC3C2(C)C)C(C)CCC=C(C)C)=C)C=C1OC

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isomeric SMILES

C=C(/C=C/c1ccc(O)c(OC)c1)O[C@H]1CCC23CC24CC[C@]2(C)[C@@H]([C@H](C)CCC=C(C)C)CC[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C

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found in taxon

Oryza sativa

3 references

stated in

Identification and quantitation of γ-oryzanol components and simultaneous assessment of tocols in rice bran oil

stated in

Inhibitory effect of cycloartenol ferulate, a component of rice bran, on tumor promotion in two-stage carcinogenesis in mouse skin.

stated in

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

Ophiocordyceps sinensis

1 reference

stated in

Anti-inflammatory principles from Cordyceps sinensis

Identifiers

InChI

InChI=1S/C41H60O3/c1-27(2)11-10-12-28(3)31-19-21-39(8)35-18-17-34-37(5,6)36(20-22-40(34)26-41(35,40)24-23-38(31,39)7)44-29(4)13-14-30-15-16-32(42)33(25-30)43-9/h11,13-16,25,28,31,34-36,42H,4,10,12,17-24,26H2,1-3,5-9H3/b14-13+/t28-,31-,34+,35+,36+,38-,39+,40?,41?/m1/s1

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InChIKey

NVJPRQASQAPOJJ-WSAVZUCRSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NVJPRQASQAPOJJ-WSAVZUCRSA-N

1 reference

(Q105186266)

2-methoxy-4-[(1E)-3-[[(6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]buta-1,3-dienyl]phenol

Statements

Identifiers

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