(Q105285090)

English

4-[12-Hydroxy-17-methoxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid

group of stereoisomers with the chemical formula C₃₉H₄₆O₉

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instance of

group of stereoisomers

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subclass of

2,6-dimethyloctane monoterpenoid

1 reference

inferred from

2,6-dimethyloctane monoterpenoid

mass

658.3141830520002 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₉H₄₆O₉

0 references

canonical SMILES

O=C(O)C(=CCC12OC(C)(C)C3CC(OC)(C=C4C(=O)C5=C(O)C=6C=CC(OC6C(=C5OC431)CC=C(C)C)(C)CCC=C(C)C)C2=O)C

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Identifiers

InChI

InChI=1S/C39H46O9/c1-21(2)11-10-16-36(8)17-15-24-29(40)28-30(41)26-19-37(45-9)20-27-35(6,7)48-38(34(37)44,18-14-23(5)33(42)43)39(26,27)47-32(28)25(31(24)46-36)13-12-22(3)4/h11-12,14-15,17,19,27,40H,10,13,16,18,20H2,1-9H3,(H,42,43)

0 references

InChIKey

VFBTVWAAPNXXAP-UHFFFAOYSA-N

0 references

PubChem CID

74429383

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

VFBTVWAAPNXXAP-UHFFFAOYSA-N

(Q105285090)

4-[12-Hydroxy-17-methoxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid

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