(Q105118991)

English

5-[(1S,4R,5S,8R,9R,11R,12S,13S,14R,16R,18S)-5,11-dihydroxy-13-(hydroxymethyl)-9,16-dimethyl-15,17,20-trioxahexacyclo[14.3.1.114,18.01,13.04,12.05,9]henicosan-8-yl]pyran-2-one

chemical compound

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instance of

type of chemical entity

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subclass of

5-[5,11-Dihydroxy-13-(hydroxymethyl)-9,16-dimethyl-15,17,20-trioxahexacyclo[14.3.1.114,18.01,13.04,12.05,9]henicosan-8-yl]pyran-2-one

1 reference

based on heuristic

inferred from SMILES

mass

474.225368048 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₄O₈

0 references

canonical SMILES

O=C1OC=C(C=C1)C2CCC3(O)C4CCC56OC7(OC(CC(O7)C5(CO)C4C(O)CC23C)C6)C

0 references

isomeric SMILES

C[C@@]12O[C@H]3C[C@@H](O1)[C@@]1(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@]5(O)[C@@H]4CC[C@@]1(C3)O2

0 references

found in taxon

Kalanchoe pinnata

1 reference

stated in

Insecticidal compounds from Kalanchoe daigremontiana x tubiflora.

Identifiers

InChI

InChI=1S/C26H34O8/c1-22-11-18(28)21-17(26(22,30)8-6-16(22)14-3-4-20(29)31-12-14)5-7-24-10-15-9-19(25(21,24)13-27)33-23(2,32-15)34-24/h3-4,12,15-19,21,27-28,30H,5-11,13H2,1-2H3/t15-,16+,17+,18+,19+,21+,22+,23+,24-,25-,26-/m0/s1

0 references

InChIKey

IROGPDLPDYVVFG-OXEPTNEJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IROGPDLPDYVVFG-OXEPTNEJSA-N

(Q105118991)

5-[(1S,4R,5S,8R,9R,11R,12S,13S,14R,16R,18S)-5,11-dihydroxy-13-(hydroxymethyl)-9,16-dimethyl-15,17,20-trioxahexacyclo[14.3.1.114,18.01,13.04,12.05,9]henicosan-8-yl]pyran-2-one

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