(Q104401986)

English

(1S,2S,3R,5R,6R,14R,15S,18S,21S,22R)-5,18-dihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone

chemical compound

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type of chemical entity

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1 reference

(1S,2S,5S,6R,14R,22R)-5,18-dihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone

1 reference

based on heuristic

inferred from SMILES

mass

510.18898254 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₀O₉

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canonical SMILES

O=C1OC2CC(C1=C)(C)C3C(=O)C4(O)OC35C(O)(C(=O)OC25C)CCC6C4CC=C7CC=CC(=O)C76C

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isomeric SMILES

C=C1C(=O)O[C@@H]2C[C@@]1(C)[C@@H]1C(=O)[C@]3(O)O[C@@]14[C@@](O)(CC[C@H]1[C@H]3CC=C3CC=CC(=O)[C@@]31C)C(=O)O[C@@]24C

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found in taxon

Alkekengi officinarum var. franchetii

1 reference

stated in

Physalins N and O from Physalis alkekengi

Identifiers

InChI

InChI=1S/C28H30O9/c1-13-21(31)35-18-12-23(13,2)19-20(30)27(34)16-9-8-14-6-5-7-17(29)24(14,3)15(16)10-11-26(33)22(32)36-25(18,4)28(19,26)37-27/h5,7-8,15-16,18-19,33-34H,1,6,9-12H2,2-4H3/t15-,16+,18+,19-,23+,24-,25-,26+,27+,28-/m0/s1

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InChIKey

OZDVKLAQLVYYJW-JCRJIZIMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OZDVKLAQLVYYJW-JCRJIZIMSA-N

1 reference

(Q104401986)

(1S,2S,3R,5R,6R,14R,15S,18S,21S,22R)-5,18-dihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone

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