(Q105192883)

English

(1S,13S,14R,15S,18S,19R)-9,14,18-trimethyl-13-(3-methylbutanoyl)-4,12,20-trioxapentacyclo[11.6.1.02,11.05,10.015,19]icosa-2(11),5,7,9-tetraen-3-one

chemical compound

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instance of

type of chemical entity

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subclass of

9,14,18-trimethyl-13-(3-methylbutanoyl)-4,12,20-trioxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁵,¹⁹]icosa-2(11),5,7,9-tetraen-3-one

1 reference

based on heuristic

inferred from SMILES

mass

410.20932406 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,13S,14S,15R,18S,19S)-9,14,18-trimethyl-13-(3-methylbutanoyl)-4,12,20-trioxapentacyclo[11.6.1.02,11.05,10.015,19]icosa-2(11),5,7,9-tetraen-3-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,13R,14R,15S,18S,19R)-9,14,18-trimethyl-13-(3-methylbutanoyl)-4,12,20-trioxapentacyclo[11.6.1.02,11.05,10.015,19]icosa-2(11),5,7,9-tetraen-3-one

1 reference

based on heuristic

inferred from InChIKey

(1R,13R,14S,15R,18S,19S)-9,14,18-trimethyl-13-(3-methylbutanoyl)-4,12,20-trioxapentacyclo[11.6.1.02,11.05,10.015,19]icosa-2(11),5,7,9-tetraen-3-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₀O₅

0 references

canonical SMILES

O=C1OC2=CC=CC(=C2C=3OC4(OC(C13)C5C(C)CCC5C4C)C(=O)CC(C)C)C

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isomeric SMILES

Cc1cccc2oc(=O)c3c(c12)O[C@@]1(C(=O)CC(C)C)O[C@H]3[C@@H]2[C@@H](C)CC[C@@H]2[C@H]1C

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found in taxon

Aphyllocladus denticulatus

1 reference

stated in

5-Methylcoumarin derivatives from Aphyllocladus denticulatus

Identifiers

InChI

InChI=1S/C25H30O5/c1-12(2)11-18(26)25-15(5)16-10-9-14(4)19(16)22(29-25)21-23(30-25)20-13(3)7-6-8-17(20)28-24(21)27/h6-8,12,14-16,19,22H,9-11H2,1-5H3/t14-,15+,16+,19+,22-,25-/m0/s1

0 references

InChIKey

OIVSDRARUTXWJF-UBWSPPLRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OIVSDRARUTXWJF-UBWSPPLRSA-N

(Q105192883)

(1S,13S,14R,15S,18S,19R)-9,14,18-trimethyl-13-(3-methylbutanoyl)-4,12,20-trioxapentacyclo[11.6.1.02,11.05,10.015,19]icosa-2(11),5,7,9-tetraen-3-one

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