(Q105144447)

English

(2S,3R,5R,9R,10R,13R,14S,17S)-17-((2R,3R,5R)-2,3-dihydroxy-5,6-dimethylheptan-2-yl)-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6(10H)-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

478.329439192 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₈H₄₆O₆

0 references

canonical SMILES

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

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isomeric SMILES

CC(C)[C@H](C)C[C@@H](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

2 references

stated in

Studies on constituents of fruit body of Polyporus umbellatus and their cytotoxic activity

stated in

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

Identifiers

InChI

InChI=1S/C28H46O6/c1-15(2)16(3)11-24(32)27(6,33)23-8-10-28(34)18-12-20(29)19-13-21(30)22(31)14-25(19,4)17(18)7-9-26(23,28)5/h12,15-17,19,21-24,30-34H,7-11,13-14H2,1-6H3/t16-,17+,19+,21-,22+,23+,24-,25-,26-,27-,28-/m1/s1

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InChIKey

KQBCIGPPRFLKLS-GNTNVKQKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KQBCIGPPRFLKLS-GNTNVKQKSA-N

1 reference

0 references

(Q105144447)

(2S,3R,5R,9R,10R,13R,14S,17S)-17-((2R,3R,5R)-2,3-dihydroxy-5,6-dimethylheptan-2-yl)-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6(10H)-one

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Identifiers

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