(Q105023711)

English

(1S,2S,4R,5R,6R,9S,12R,17R)-12-ethenyl-5-hydroxy-1,6-dimethyl-3,8,13-trioxapentacyclo[7.7.1.02,4.06,17.011,16]heptadeca-10,15-diene-7,14-dione

chemical compound

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instance of

type of chemical entity

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subclass of

12-Ethenyl-5-hydroxy-1,6-dimethyl-3,8,13-trioxapentacyclo[7.7.1.02,4.06,17.011,16]heptadeca-10,15-diene-7,14-dione

1 reference

based on heuristic

inferred from SMILES

(1S,2S,4R,5R,9S,12R,17R)-12-ethenyl-5-hydroxy-1,6-dimethyl-3,8,13-trioxapentacyclo[7.7.1.0²,⁴.0⁶,¹⁷.0¹¹,¹⁶]heptadeca-10,15-diene-7,14-dione

1 reference

based on heuristic

inferred from SMILES

mass

330.110338296 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,2R,4S,5R,6R,9R,12R,17R)-12-ethenyl-5-hydroxy-1,6-dimethyl-3,8,13-trioxapentacyclo[7.7.1.02,4.06,17.011,16]heptadeca-10,15-diene-7,14-dione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,2R,4S,5R,6R,9S,12R,17R)-12-ethenyl-5-hydroxy-1,6-dimethyl-3,8,13-trioxapentacyclo[7.7.1.02,4.06,17.011,16]heptadeca-10,15-diene-7,14-dione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₈H₁₈O₆

0 references

canonical SMILES

O=C1OC(C=C)C2=CC3OC(=O)C4(C)C(O)C5OC5C(C2=C1)(C)C34

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isomeric SMILES

C=C[C@H]1OC(=O)C=C2C1=C[C@@H]1OC(=O)[C@@]3(C)[C@@H](O)[C@H]4O[C@H]4[C@@]2(C)[C@@H]13

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found in taxon

Podocarpus neriifolius

1 reference

stated in

Structures of norditerpene lactones from Podocarpus species

Identifiers

InChI

InChI=1S/C18H18O6/c1-4-9-7-5-10-13-17(2,8(7)6-11(19)22-9)15-12(24-15)14(20)18(13,3)16(21)23-10/h4-6,9-10,12-15,20H,1H2,2-3H3/t9-,10+,12-,13-,14+,15-,17-,18-/m1/s1

0 references

InChIKey

GYGGJZCRRDXTBB-DPYVYZABSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GYGGJZCRRDXTBB-DPYVYZABSA-N

(Q105023711)

(1S,2S,4R,5R,6R,9S,12R,17R)-12-ethenyl-5-hydroxy-1,6-dimethyl-3,8,13-trioxapentacyclo[7.7.1.02,4.06,17.011,16]heptadeca-10,15-diene-7,14-dione

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