(Q105172128)

English

(2R)-4-(2-hydroxypropan-2-yl)-2-[(1R)-1-hydroxy-1-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-2,3-dihydropyran-6-one

chemical compound

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instance of

type of chemical entity

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subclass of

4-(2-hydroxypropan-2-yl)-2-[1-hydroxy-1-(2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl]-2,3-dihydropyran-6-one

1 reference

based on heuristic

inferred from SMILES

mass

518.287968304 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S)-4-(2-hydroxypropan-2-yl)-2-[(1R)-1-hydroxy-1-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-2,3-dihydropyran-6-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₂O₈

0 references

canonical SMILES

O=C1OC(CC(=C1)C(O)(C)C)C(O)(C)C2CCC3(O)C4=CC(=O)C5CC(O)C(O)CC5(C)C4CCC23C

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isomeric SMILES

CC(C)(O)C1=CC(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)C4=CC(=O)[C@@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@H]4CC[C@]23C)C1

0 references

found in taxon

Leuzea carthamoides

1 reference

stated in

Minor Ecdysteroid Components of Leuzea carthamoides

Rhaponticum carthamoides

1 reference

stated in

Minor Ecdysteroid Components of Leuzea carthamoides

Identifiers

InChI

InChI=1S/C29H42O8/c1-25(2,34)15-10-23(37-24(33)11-15)28(5,35)22-7-9-29(36)17-12-19(30)18-13-20(31)21(32)14-26(18,3)16(17)6-8-27(22,29)4/h11-12,16,18,20-23,31-32,34-36H,6-10,13-14H2,1-5H3/t16-,18-,20+,21-,22-,23+,26+,27+,28+,29+/m0/s1

0 references

InChIKey

MUCBZHHNTRNVMC-UYQGPDJCSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105172128)

(2R)-4-(2-hydroxypropan-2-yl)-2-[(1R)-1-hydroxy-1-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-2,3-dihydropyran-6-one

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