(Q105205950)

English

(2R,5R)-2-hydroxy-5,6-dimethyl-2-[(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]heptane-3,4-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-hydroxy-5,6-dimethyl-2-(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)heptane-3,4-dione

1 reference

based on heuristic

inferred from SMILES

mass

490.293053684 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₂O₇

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canonical SMILES

O=C1C=C2C(CCC3(C)C(CCC23O)C(O)(C(=O)C(=O)C(C)C(C)C)C)C4(C)CC(O)C(O)CC14

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isomeric SMILES

CC(C)[C@@H](C)C(=O)C(=O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C

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found in taxon

Polyporus umbellatus

1 reference

stated in

New anti-inflammatory ergostane-type ecdysteroids from the sclerotium of Polyporus umbellatus

Identifiers

InChI

InChI=1S/C28H42O7/c1-14(2)15(3)23(32)24(33)27(6,34)22-8-10-28(35)17-11-19(29)18-12-20(30)21(31)13-25(18,4)16(17)7-9-26(22,28)5/h11,14-16,18,20-22,30-31,34-35H,7-10,12-13H2,1-6H3/t15-,16+,18+,20-,21+,22+,25-,26-,27-,28-/m1/s1

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InChIKey

PCRYCWCDVJRRRK-CDXKHOEGSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105205950)

(2R,5R)-2-hydroxy-5,6-dimethyl-2-[(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]heptane-3,4-dione

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Identifiers

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