(Q105309939)

English

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

chemical compound

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instance of

type of chemical entity

0 references

subclass of

2-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-5,6-dimethylheptane-3,4-diol

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

mass

434.37599546 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(20R,22R,23R,24S)-5alpha-Ergostane-3beta,22,23-triol

1 reference

based on heuristic

inferred from InChIKey

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

1 reference

1 reference

C₂₈H₅₀O₃

0 references

canonical SMILES

OC1CCC2(C)C(CCC3C4CCC(C(C)C(O)C(O)C(C)C(C)C)C4(C)CCC32)C1

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isomeric SMILES

CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C

0 references

found in taxon

Arabidopsis thaliana

1 reference

stated in

Brassinosteroids in Arabidopsis thaliana

Identifiers

InChI

InChI=1S/C28H50O3/c1-16(2)17(3)25(30)26(31)18(4)22-9-10-23-21-8-7-19-15-20(29)11-13-27(19,5)24(21)12-14-28(22,23)6/h16-26,29-31H,7-15H2,1-6H3/t17-,18-,19-,20-,21-,22-,23+,24+,25+,26+,27-,28+/m0/s1

0 references

InChIKey

WPHVOXMMNSLJSF-YBDHLFMFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WPHVOXMMNSLJSF-YBDHLFMFSA-N

(Q105309939)

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

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