(Q105288878)

English

Isoocobullenone

chemical compound

In more languages

Statements

type of chemical entity

0 references

9-(7-methoxy-2H-1,3-benzodioxol-5-yl)-10-methyl-8-(prop-2-en-1-yl)-2,4-dioxatricyclo[6.2.1.0¹,⁵]undec-5-en-7-one

1 reference

based on heuristic

inferred from SMILES

370.141638424 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,8S,9S,10S)-9-(7-methoxy-1,3-benzodioxol-5-yl)-10-methyl-8-prop-2-enyl-2,4-dioxatricyclo[6.2.1.01,5]undec-5-en-7-one

1 reference

based on heuristic

inferred from InChI

(1R,8R,9S,10R)-9-(7-methoxy-1,3-benzodioxol-5-yl)-10-methyl-8-prop-2-enyl-2,4-dioxatricyclo[6.2.1.01,5]undec-5-en-7-one

1 reference

based on heuristic

inferred from InChI

(1S,8S,9R,10S)-9-(7-methoxy-1,3-benzodioxol-5-yl)-10-methyl-8-prop-2-enyl-2,4-dioxatricyclo[6.2.1.01,5]undec-5-en-7-one

1 reference

based on heuristic

inferred from InChI

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₂O₆

0 references

canonical SMILES

O=C1C=C2OCOC23CC1(CC=C)C(C4=CC(OC)=C5OCOC5=C4)C3C

0 references

isomeric SMILES

C=CC[C@]12C[C@@]3(OCOC3=CC1=O)[C@@H](C)[C@@H]2c1cc(OC)c2c(c1)OCO2

0 references

Cryptocarya liebertiana

1 reference

Cryptocarya liebertiana and Ocotea bullata—Their phytochemical relationship

4 references

Iso-ocobullenone and a neolignan ketone from ocotea bullata bark

Stereostructure and anti-inflammatory activity of three diastereomers of ocobullenone from Ocotea bullata

Stereostructure and anti-inflammatory activity of three diastereomers of ocobullenone from Ocotea bullata

Iso-ocobullenone and a neolignan ketone from ocotea bullata bark

Identifiers

InChI=1S/C21H22O6/c1-4-5-20-9-21(17(8-16(20)22)25-11-27-21)12(2)18(20)13-6-14(23-3)19-15(7-13)24-10-26-19/h4,6-8,12,18H,1,5,9-11H2,2-3H3/t12-,18+,20-,21+/m0/s1

0 references

VMBFNOIPGQFDTB-XDCIRQQTSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

VMBFNOIPGQFDTB-XDCIRQQTSA-N

UniChem compound ID

1 reference

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