(Q105193026)

English

[17-(5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] hexadecanoate

group of stereoisomers with the chemical formula C₄₄H₇₄O₂

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Statements

group of stereoisomers

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ergostane steroid

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ergostane steroid

634.568881608 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₄H₇₄O₂

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canonical SMILES

O=C(OC1CC2=CC=C3C(CCC4(C)C3CCC4C(C=CC(C)C(C)C)C)C2(C)CC1)CCCCCCCCCCCCCCC

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Aspergillus fumigatus

1 reference

Metabolomics ofAspergillus fumigatus

Identifiers

InChI=1S/C44H74O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-42(45)46-37-28-30-43(6)36(32-37)24-25-38-40-27-26-39(44(40,7)31-29-41(38)43)35(5)23-22-34(4)33(2)3/h22-25,33-35,37,39-41H,8-21,26-32H2,1-7H3

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OJDWINNMESMCGK-UHFFFAOYSA-N

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2 references

2 January 2023

based on heuristic

inferred from InChIKey

matched by identifier from

OJDWINNMESMCGK-UHFFFAOYSA-N

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