(Q105030436)

English

(1S,2S,4S,5R,10R,11S,14R,15R,18S)-15-[(1S)-1-[(1S,4S,6S)-1,6-dimethyl-2-oxo-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-5-hydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

15-[1-(1,6-Dimethyl-2-oxo-3,7-dioxabicyclo[4.1.0]heptan-4-yl)ethyl]-5-hydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one

1 reference

based on heuristic

inferred from SMILES

mass

470.266838936 dalton

1 reference

1 reference

C₂₈H₃₈O₆

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canonical SMILES

O=C1OC(CC2(OC12C)C)C(C)C3CCC4C5C6OC6C7(O)CC=CC(=O)C7(C)C5CCC34C

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isomeric SMILES

C[C@H]([C@@H]1C[C@]2(C)O[C@]2(C)C(=O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C

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found in taxon

Hyoscyamus niger

1 reference

stated in

Withanolides from hyoscyamus niger seeds

Identifiers

InChI

InChI=1S/C28H38O6/c1-14(18-13-25(3)27(5,34-25)23(30)32-18)15-8-9-16-20-17(10-12-24(15,16)2)26(4)19(29)7-6-11-28(26,31)22-21(20)33-22/h6-7,14-18,20-22,31H,8-13H2,1-5H3/t14-,15+,16-,17-,18-,20-,21-,22-,24+,25-,26-,27+,28-/m0/s1

0 references

InChIKey

HMAKYIOVUKVWAW-UQGYZYPHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HMAKYIOVUKVWAW-UQGYZYPHSA-N

(Q105030436)

(1S,2S,4S,5R,10R,11S,14R,15R,18S)-15-[(1S)-1-[(1S,4S,6S)-1,6-dimethyl-2-oxo-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-5-hydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one

Statements

Identifiers

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