(Q105147836)

English

(2Z)-4-{7-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-6,8-dihydroxy-17,17-dimethyl-5-(3-methylbut-2-en-1-yl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.0²,¹¹.0²,¹⁵.0⁴,⁹]octadeca-4,6,8,11-tetraen-15-yl}-2-methylbut-2-enal

group of stereoisomers with the chemical formula C₃₈H₄₆O₇

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Statements

instance of

group of stereoisomers

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subclass of

2,6-dimethyloctane monoterpenoid

1 reference

inferred from

2,6-dimethyloctane monoterpenoid

mass

614.324353812 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₄₆O₇

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canonical SMILES

O=CC(=CCC12OC(C)(C)C3CC(C=C4C(=O)C=5C(O)=C(C(O)=C(C5OC431)CC=C(C)C)CC=C(C)CCC=C(C)C)C2=O)C

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isomeric SMILES

CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C1=CC3CC4C(C)(C)OC(C/C=C(/C)C=O)(C3=O)C14O2

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C38H46O7/c1-21(2)10-9-11-23(5)13-15-26-31(40)27(14-12-22(3)4)34-30(32(26)41)33(42)28-18-25-19-29-36(7,8)45-37(35(25)43,38(28,29)44-34)17-16-24(6)20-39/h10,12-13,16,18,20,25,29,40-41H,9,11,14-15,17,19H2,1-8H3/b23-13+,24-16-

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InChIKey

KYPSMUUXSFJTAR-HEEAUFFFSA-N

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PubChem CID

9851944

1 reference

matched by identifier from

InChIKey

KYPSMUUXSFJTAR-HEEAUFFFSA-N

(Q105147836)

(2Z)-4-{7-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-6,8-dihydroxy-17,17-dimethyl-5-(3-methylbut-2-en-1-yl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.0²,¹¹.0²,¹⁵.0⁴,⁹]octadeca-4,6,8,11-tetraen-15-yl}-2-methylbut-2-enal

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