(Q105275634)

English

[(8R,9S,10R,13R,14R,17S)-17-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-14-hydroxy-10-methyl-1-oxo-7,8,9,11,12,15,16,17-octahydro-4H-cyclopenta[a]phenanthren-13-yl]methyl acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[17-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxyethyl]-14-hydroxy-10-methyl-1-oxo-7,8,9,11,12,15,16,17-octahydro-4H-cyclopenta[a]phenanthren-13-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

512.27740362 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₀O₇

0 references

canonical SMILES

O=C1OC(CC(=C1C)C)C(O)(C)C2CCC3(O)C4CC=C5CC=CC(=O)C5(C)C4CCC23COC(=O)C

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isomeric SMILES

CC(=O)OC[C@]12CC[C@H]3[C@@H](CC=C4CC=CC(=O)[C@@]43C)[C@]1(O)CC[C@@H]2[C@@](C)(O)[C@H]1CC(C)=C(C)C(=O)O1

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found in taxon

Physalis coztomatl

2 references

stated in

Labdanes and withanolides from Physalis coztomatl

stated in

Sucrose esters from the fruits of Physalis nicandroides var. attenuata

Identifiers

InChI

InChI=1S/C30H40O7/c1-17-15-25(37-26(33)18(17)2)28(5,34)23-12-14-30(35)22-10-9-20-7-6-8-24(32)27(20,4)21(22)11-13-29(23,30)16-36-19(3)31/h6,8-9,21-23,25,34-35H,7,10-16H2,1-5H3/t21-,22+,23+,25+,27-,28+,29-,30+/m0/s1

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InChIKey

UMODUFSAJMSFTP-QUFYOABESA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105275634)

[(8R,9S,10R,13R,14R,17S)-17-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-14-hydroxy-10-methyl-1-oxo-7,8,9,11,12,15,16,17-octahydro-4H-cyclopenta[a]phenanthren-13-yl]methyl acetate

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Identifiers

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