(Q110187832)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

446.37599546 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

Ergost-5-ene-3,22-diol, 7-methoxy-, (3beta,7beta,22R,24R)-

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₅₀O₃

0 references

canonical SMILES

OC1CC2=CC(OC)C3C(CCC4(C)C(CCC34)C(C)C(O)CC(C)C(C)C)C2(C)CC1

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isomeric SMILES

CO[C@H]1C=C2C[C@@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)[C@H](O)C[C@H](C)C(C)C)[C@@H]21

0 references

found in taxon

Schleichera oleosa

1 reference

stated in

Isolation and structures of schleicherastatins 1-7 and schleicheols 1 and 2 from the teak forest medicinal tree Schleichera oleosa

Identifiers

InChI

InChI=1S/C29H50O3/c1-17(2)18(3)14-25(31)19(4)22-8-9-23-27-24(11-13-29(22,23)6)28(5)12-10-21(30)15-20(28)16-26(27)32-7/h16-19,21-27,30-31H,8-15H2,1-7H3/t18-,19-,21-,22+,23-,24-,25+,26-,27-,28-,29+/m0/s1

0 references

InChIKey

UYEMZAOCHUCHMG-QSLXZLSSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UYEMZAOCHUCHMG-QSLXZLSSSA-N

1 reference

(Q110187832)

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

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