(Q105349575)

English

(5R,8R,9S,10R,13R,14R,17S)-17-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,10,14-tetramethyl-2,5,6,7,8,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one

chemical compound

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instance of

type of chemical entity

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chemical compound

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mass

444.360345396 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(5S,8R,9S,10R,13R,14R,17S)-17-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,10,14-tetramethyl-2,5,6,7,8,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(5R,8R,9S,10R,13R,14R,17S)-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,10,14-tetramethyl-2,5,6,7,8,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from InChIKey

1 reference

C₂₉H₄₈O₃

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canonical SMILES

O=C1CCC2(C)C3CCC4C(CCC4(C)C3CCC2C1(C)C)C5(OC(CC5)C(O)(C)C)C

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isomeric SMILES

CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@@]3(C)[C@@H]2CC[C@H]2[C@H]3CC[C@H]3C(C)(C)C(=O)CC[C@]23C)O1

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found in taxon

Aglaia rubiginosa

1 reference

stated in

Dammarenolic acid, a secodammarane triterpenoid from Aglaia sp. shows potent anti-retroviral activity in vitro

Identifiers

InChI

InChI=1S/C29H48O3/c1-25(2)22-11-10-18-19(28(22,6)16-13-23(25)30)8-9-20-21(12-15-27(18,20)5)29(7)17-14-24(32-29)26(3,4)31/h18-22,24,31H,8-17H2,1-7H3/t18-,19+,20-,21+,22+,24+,27-,28-,29+/m1/s1

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InChIKey

YKASDLKPAGOAAC-FZFGDPLJSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105349575)

(5R,8R,9S,10R,13R,14R,17S)-17-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,10,14-tetramethyl-2,5,6,7,8,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one

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