(Q105310866)

English

[(3S,6R)-6-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-propan-2-ylheptyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

group of stereoisomers with the chemical formula C₃₉H₆₀O₄

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Statements

instance of

group of stereoisomers

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subclass of

stigmastan-type steroid

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inferred from

stigmastan-type steroid

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592.4491604 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₉H₆₀O₄

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canonical SMILES

O=C(OCCC(CCC(C)C1CCC2C3CCC4CCCCC4(C)C3CCC12C)C(C)C)C=CC5=CC=C(O)C(OC)=C5

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isomeric SMILES

COc1cc(/C=C/C(=O)OCC[C@H](CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CCC5CCCC[C@]5(C)[C@H]4CC[C@@]32C)C(C)C)ccc1O

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found in taxon

Oryza sativa

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stated in

Triterpene alcohol and sterol ferulates from rice bran and their anti-inflammatory effects

Identifiers

InChI

InChI=1S/C39H60O4/c1-26(2)29(21-24-43-37(41)19-12-28-11-18-35(40)36(25-28)42-6)13-10-27(3)32-16-17-33-31-15-14-30-9-7-8-22-38(30,4)34(31)20-23-39(32,33)5/h11-12,18-19,25-27,29-34,40H,7-10,13-17,20-24H2,1-6H3/b19-12+/t27-,29+,30?,31+,32-,33+,34+,38+,39-/m1/s1

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InChIKey

WQMQQFJZOVBYNR-ZWRMRXLQSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

WQMQQFJZOVBYNR-ZWRMRXLQSA-N

1 reference

(Q105310866)

[(3S,6R)-6-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-propan-2-ylheptyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Statements

Identifiers

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