(Q104913929)

English

[17-(5-Ethyl-6-methylhept-1-en-2-yl)-11-hydroxy-10,13-dimethyl-6-oxo-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] benzoate

group of stereoisomers with the chemical formula C₃₆H₅₀O₄

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Statements

instance of

group of stereoisomers

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subclass of

stigmastan-type steroid

1 reference

inferred from

stigmastan-type steroid

mass

546.37091008 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₅₀O₄

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canonical SMILES

O=C(OC1CCC2(C)C(C(=O)C=C3C4CCC(C(=C)CCC(CC)C(C)C)C4(C)CC(O)C32)C1)C=5C=CC=CC5

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found in taxon

Alkekengi officinarum var. franchetii

1 reference

stated in

Two new sterols from Physalis franchetii fruit

Identifiers

InChI

InChI=1S/C36H50O4/c1-7-24(22(2)3)14-13-23(4)28-15-16-29-27-20-31(37)30-19-26(40-34(39)25-11-9-8-10-12-25)17-18-35(30,5)33(27)32(38)21-36(28,29)6/h8-12,20,22,24,26,28-30,32-33,38H,4,7,13-19,21H2,1-3,5-6H3

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InChIKey

AKYLOCBWNOEPCY-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

AKYLOCBWNOEPCY-UHFFFAOYSA-N

1 reference

(Q104913929)

[17-(5-Ethyl-6-methylhept-1-en-2-yl)-11-hydroxy-10,13-dimethyl-6-oxo-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] benzoate

Statements

Identifiers

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