(Q105149838)

English

(1S,2R,4S,5R,10S,11S,13R,14R,15R,18R)-5-[(2R)-1,2-dihydroxypropan-2-yl]-14-hydroxy-10,15-dimethyl-3,6,12,17-tetraoxahexacyclo[8.7.1.02,4.04,9.011,13.015,18]octadec-8-ene-7,16-dione

chemical compound

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instance of

type of chemical entity

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subclass of

5-(1,2-Dihydroxypropan-2-yl)-14-hydroxy-10,15-dimethyl-3,6,12,17-tetraoxahexacyclo[8.7.1.02,4.04,9.011,13.015,18]octadec-8-ene-7,16-dione

1 reference

based on heuristic

inferred from SMILES

(1S,2R,4S,5R,10S,11S,13R,14R,18R)-5-[(2R)-1,2-dihydroxypropan-2-yl]-14-hydroxy-10,15-dimethyl-3,6,12,17-tetraoxahexacyclo[8.7.1.0²,⁴.0⁴,⁹.0¹¹,¹³.0¹⁵,¹⁸]octadec-8-ene-7,16-dione

1 reference

based on heuristic

inferred from SMILES

mass

394.126382284 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,2R,4S,5R,10S,11S,13R,14R,15R,18R)-5-[(2S)-1,2-dihydroxypropan-2-yl]-14-hydroxy-10,15-dimethyl-3,6,12,17-tetraoxahexacyclo[8.7.1.02,4.04,9.011,13.015,18]octadec-8-ene-7,16-dione

1 reference

based on heuristic

inferred from InChIKey

Podolactone B

2 references

based on heuristic

inferred from InChIKey

1 reference

C₁₉H₂₂O₉

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canonical SMILES

O=C1OC(C(O)(C)CO)C23OC3C4OC(=O)C5(C)C(O)C6OC6C(C2=C1)(C)C45

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isomeric SMILES

C[C@]12C3=CC(=O)O[C@H]([C@](C)(O)CO)[C@]34O[C@@H]4[C@H]3OC(=O)[C@@](C)([C@@H](O)[C@H]4O[C@H]41)[C@H]32

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found in taxon

Podocarpus milanjianus

1 reference

stated in

Revised structure of podolactone C, the antileukemic component of Podocarpus milanjianus Rendle

Podocarpus neriifolius

1 reference

stated in

Structures of norditerpene lactones from Podocarpus species

Identifiers

InChI

InChI=1S/C19H22O9/c1-16(24,5-20)14-19-6(4-7(21)25-14)17(2)10-8(13(19)28-19)27-15(23)18(10,3)11(22)9-12(17)26-9/h4,8-14,20,22,24H,5H2,1-3H3/t8-,9+,10+,11-,12+,13+,14+,16+,17+,18+,19-/m0/s1

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InChIKey

LCHSSOYHOCFOEO-JKWJOIJSSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105149838)

(1S,2R,4S,5R,10S,11S,13R,14R,15R,18R)-5-[(2R)-1,2-dihydroxypropan-2-yl]-14-hydroxy-10,15-dimethyl-3,6,12,17-tetraoxahexacyclo[8.7.1.02,4.04,9.011,13.015,18]octadec-8-ene-7,16-dione

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Identifiers

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