(Q105024236)

English

[(5R,7R,8R,9R,10R,13S,17S)-17-[(3R,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]oxolan-3-yl]-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[17-[5-(1,2-Dihydroxy-2-methylpropyl)oxolan-3-yl]-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

528.345089256 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(5S,7R,8R,9R,10R,13S,17S)-17-[(3S,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]oxolan-3-yl]-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate

1 reference

1 reference

[(5R,7R,8R,9R,10R,13S,17S)-17-[(3R,5R)-5-[(1R)-1,2-dihydroxy-2-methylpropyl]oxolan-3-yl]-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₄₈O₆

0 references

canonical SMILES

O=C(OC1CC2C(C(=O)C=CC2(C)C3CCC4(C(=CCC4C5COC(C5)C(O)C(O)(C)C)C13C)C)(C)C)C

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isomeric SMILES

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

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found in taxon

Xylocarpus granatum

1 reference

stated in

Protoxylocarpins F-H, protolimonoids from seed kernels of Xylocarpus granatum.

Identifiers

InChI

InChI=1S/C32H48O6/c1-18(33)38-26-16-24-28(2,3)25(34)12-14-31(24,7)23-11-13-30(6)20(9-10-22(30)32(23,26)8)19-15-21(37-17-19)27(35)29(4,5)36/h10,12,14,19-21,23-24,26-27,35-36H,9,11,13,15-17H2,1-8H3/t19-,20-,21+,23+,24-,26+,27-,30-,31+,32-/m0/s1

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InChIKey

GYXZUMLIUNJOEV-MZTUTNFVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GYXZUMLIUNJOEV-MZTUTNFVSA-N

1 reference

(Q105024236)

[(5R,7R,8R,9R,10R,13S,17S)-17-[(3R,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]oxolan-3-yl]-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate

Statements

Identifiers

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