(Q110192419)

English

4-(15-acetyloxy-6'-hydroxy-2,6',11-trimethyl-7-methylidene-2',6-dioxospiro[5-oxatetracyclo[10.2.1.01,10.04,8]pentadec-10-ene-13,3'-7,7a-dihydro-3aH-1-benzofuran]-5'-yl)pentyl acetate

group of stereoisomers with the chemical formula C₃₄H₄₄O₉

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

596.298532988 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₄₄O₉

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canonical SMILES

O=C1OC2CC(C)C34C(=C(C)C(C3OC(=O)C)C5(C(=O)OC6CC(O)(C(=CC65)C(C)CCCOC(=O)C)C)C4)CC2C1=C

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found in taxon

Inula japonica

1 reference

stated in

Japonicones A-D, bioactive dimeric sesquiterpenes from Inula japonica Thunb.

Identifiers

InChI

InChI=1S/C34H44O9/c1-16(9-8-10-40-20(5)35)23-13-25-27(14-32(23,7)39)43-31(38)34(25)15-33-17(2)11-26-22(18(3)30(37)42-26)12-24(33)19(4)28(34)29(33)41-21(6)36/h13,16-17,22,25-29,39H,3,8-12,14-15H2,1-2,4-7H3

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InChIKey

NEJMSJPMPBCXQF-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NEJMSJPMPBCXQF-UHFFFAOYSA-N

(Q110192419)

4-(15-acetyloxy-6'-hydroxy-2,6',11-trimethyl-7-methylidene-2',6-dioxospiro[5-oxatetracyclo[10.2.1.01,10.04,8]pentadec-10-ene-13,3'-7,7a-dihydro-3aH-1-benzofuran]-5'-yl)pentyl acetate

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Identifiers

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