(Q104987128)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

ergostane steroid

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mass

548.422945652 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₅₆O₃

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canonical SMILES

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

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isomeric SMILES

CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)/C=C/c5ccc(O)cc5)CC[C@]4(C)[C@H]3CC[C@@]21C

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found in taxon

maize

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C37H56O3/c1-24(2)25(3)7-8-26(4)32-16-17-33-31-15-12-28-23-30(19-21-36(28,5)34(31)20-22-37(32,33)6)40-35(39)18-11-27-9-13-29(38)14-10-27/h9-11,13-14,18,24-26,28,30-34,38H,7-8,12,15-17,19-23H2,1-6H3/b18-11+/t25-,26-,28+,30+,31+,32-,33+,34+,36+,37-/m1/s1

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InChIKey

DQTABHGEAIDIHM-PXWMHLPUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DQTABHGEAIDIHM-PXWMHLPUSA-N

(Q104987128)

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

Statements

Identifiers

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