(Q105006525)

English

[(3S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,7,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

chemical compound

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type of chemical entity

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subclass of

[10,13-dimethyl-17-(6-methylhept-5-en-2-yl)-2,3,4,7,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

424.334130648 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₄O₂

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canonical SMILES

O=C(OC1CC2=CCC3=C(CCC4(C)C3CCC4C(C)CCC=C(C)C)C2(C)CC1)C

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isomeric SMILES

CC(=O)O[C@H]1CC[C@@]2(C)C(=CCC3=C2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCC=C(C)C)C1

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found in taxon

Candida tropicalis

1 reference

stated in

Sterols of Candida tropicalis grown on N-alkanes

Identifiers

InChI

InChI=1S/C29H44O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8,10,20,23,25-26H,7,9,11-18H2,1-6H3/t20-,23+,25-,26+,28+,29-/m1/s1

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InChIKey

GCWLDSVUECWZIA-DQQIOUCKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GCWLDSVUECWZIA-DQQIOUCKSA-N

(Q105006525)

[(3S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,7,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

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