(Q104964349)

English

1-[(1S,12R,13S,14R,17S,18S)-13-hydroxy-8,13,17-trimethyl-3,11,19-trioxapentacyclo[10.6.1.02,10.04,9.014,18]nonadeca-2(10),4,6,8-tetraen-12-yl]-3-methylbut-2-en-1-one

chemical compound

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instance of

type of chemical entity

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subclass of

1-{13-hydroxy-8,13,17-trimethyl-3,11,19-trioxapentacyclo[10.6.1.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁸]nonadeca-2(10),4,6,8-tetraen-12-yl}-3-methylbut-2-en-1-one

1 reference

based on heuristic

inferred from SMILES

mass

396.193673996 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

1-[(1S,12R,13S,14R,17S,18R)-13-hydroxy-8,13,17-trimethyl-3,11,19-trioxapentacyclo[10.6.1.02,10.04,9.014,18]nonadeca-2(10),4,6,8-tetraen-12-yl]-3-methylbut-2-en-1-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₄H₂₈O₅

0 references

canonical SMILES

O=C(C=C(C)C)C12OC3=C(OC4=CC=CC(=C43)C)C(O1)C5C(C)CCC5C2(O)C

0 references

isomeric SMILES

CC(C)=CC(=O)[C@@]12Oc3c(oc4cccc(C)c34)[C@@H](O1)[C@H]1[C@@H](C)CC[C@H]1[C@]2(C)O

0 references

found in taxon

Aphyllocladus denticulatus

1 reference

stated in

5-Methylcoumarin derivatives from Aphyllocladus denticulatus

Identifiers

InChI

InChI=1S/C24H28O5/c1-12(2)11-17(25)24-23(5,26)15-10-9-14(4)18(15)20(28-24)22-21(29-24)19-13(3)7-6-8-16(19)27-22/h6-8,11,14-15,18,20,26H,9-10H2,1-5H3/t14-,15+,18-,20-,23-,24-/m0/s1

0 references

InChIKey

CMCUAFWLFKBJIT-BRKXAUHISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CMCUAFWLFKBJIT-BRKXAUHISA-N

(Q104964349)

1-[(1S,12R,13S,14R,17S,18S)-13-hydroxy-8,13,17-trimethyl-3,11,19-trioxapentacyclo[10.6.1.02,10.04,9.014,18]nonadeca-2(10),4,6,8-tetraen-12-yl]-3-methylbut-2-en-1-one

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