(Q105182697)

English

(1S,3R,7R,10S,13S,14R,16S,18R,19R)-1-hydroxy-18-[(1S,2S)-1-hydroxy-1-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]propan-2-yl]-9,9,19-trimethyl-4,8,15-trioxahexacyclo[11.8.0.03,7.03,10.014,16.014,19]henicosan-5-one

chemical compound

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type of chemical entity

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subclass of

1-hydroxy-18-[1-hydroxy-1-(4-methyl-5-oxo-2H-furan-2-yl)propan-2-yl]-9,9,19-trimethyl-4,8,15-trioxahexacyclo[11.8.0.03,7.03,10.014,16.014,19]henicosan-5-one

1 reference

based on heuristic

inferred from SMILES

(1S,3R,7S,10R,13S,14R,18R,19R)-1-hydroxy-18-[1-hydroxy-1-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]propan-2-yl]-9,9,19-trimethyl-4,8,15-trioxahexacyclo[11.8.0.03,7.03,10.014,16.014,19]henicosan-5-one

1 reference

based on heuristic

inferred from SMILES

mass

516.27231824 dalton

1 reference

2 references

inferred from InChIKey

1 reference

C₂₉H₄₀O₈

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canonical SMILES

O=C1OC(C=C1C)C(O)C(C)C2CC3OC34C5CCC6C(OC7CC(=O)OC76CC5(O)CCC24C)(C)C

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isomeric SMILES

CC1=C[C@@H]([C@@H](O)[C@@H](C)[C@H]2C[C@@H]3O[C@@]34[C@H]3CC[C@H]5C(C)(C)O[C@@H]6CC(=O)O[C@]56C[C@@]3(O)CC[C@]24C)OC1=O

0 references

found in taxon

Schisandra propinqua

1 reference

stated in

Propindilactones E-J, Schiartane Nortriterpenoids from Schisandra propinqua var. propinqua

Identifiers

InChI

InChI=1S/C29H40O8/c1-14-10-17(34-24(14)32)23(31)15(2)16-11-21-29(36-21)19-7-6-18-25(3,4)35-20-12-22(30)37-28(18,20)13-27(19,33)9-8-26(16,29)5/h10,15-21,23,31,33H,6-9,11-13H2,1-5H3/t15-,16+,17-,18-,19-,20+,21-,23-,26+,27-,28+,29-/m0/s1

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InChIKey

NOPJKUNZSJEAIR-UWVLIZAUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NOPJKUNZSJEAIR-UWVLIZAUSA-N

(Q105182697)

(1S,3R,7R,10S,13S,14R,16S,18R,19R)-1-hydroxy-18-[(1S,2S)-1-hydroxy-1-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]propan-2-yl]-9,9,19-trimethyl-4,8,15-trioxahexacyclo[11.8.0.03,7.03,10.014,16.014,19]henicosan-5-one

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