(Q105130050)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

528.345089256 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₈O₆

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canonical SMILES

O=C(OC1OC(CC1C2CC=C3C2(C)CCC4C3(C)C(O)CC5C(C(=O)CCC45C)(C)C)C6OC6(C)C)C

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isomeric SMILES

CC(=O)O[C@H]1O[C@@H]([C@@H]2OC2(C)C)C[C@@H]1[C@H]1CC=C2[C@]1(C)CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@H]3C[C@H](O)[C@@]21C

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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/c1-17(33)36-27-18(15-20(37-27)26-29(4,5)38-26)19-9-10-21-30(19,6)13-11-22-31(7)14-12-24(34)28(2,3)23(31)16-25(35)32(21,22)8/h10,18-20,22-23,25-27,35H,9,11-16H2,1-8H3/t18-,19-,20-,22-,23-,25+,26+,27+,30-,31-,32+/m1/s1

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InChIKey

JJYFVZGESRUJQK-IOZJAOPLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JJYFVZGESRUJQK-IOZJAOPLSA-N

(Q105130050)

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

Statements

Identifiers

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