(Q105284521)

English

(2Z)-2-[3-[(3aR,4S,9S,9aR)-1,8,9-trihydroxy-1,4,7-trimethyl-5,6-dioxo-3,3a,9,9a-tetrahydro-2H-cyclopenta[b]naphthalen-4-yl]propylidene]-6-methylhept-5-enoic acid

group of stereoisomers with the chemical formula C₂₇H₃₆O₇

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

472.246103492 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₆O₇

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canonical SMILES

O=C(O)C(=CCCC1(C=2C(=O)C(=O)C(=C(O)C2C(O)C3C1CCC3(O)C)C)C)CCC=C(C)C

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isomeric SMILES

CC(C)=CCC/C(=C/CC[C@]1(C)C2=C(C(O)=C(C)C(=O)C2=O)[C@@H](O)[C@H]2[C@H]1CCC2(C)O)C(=O)O

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found in taxon

Pycnanthus angolensis

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stated in

Novel antihyperglycemic terpenoid-quinones from Pycnanthus angolensis

Identifiers

InChI

InChI=1S/C27H36O7/c1-14(2)8-6-9-16(25(32)33)10-7-12-26(4)17-11-13-27(5,34)19(17)23(30)18-20(26)24(31)22(29)15(3)21(18)28/h8,10,17,19,23,28,30,34H,6-7,9,11-13H2,1-5H3,(H,32,33)/b16-10-/t17-,19-,23-,26+,27?/m1/s1

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InChIKey

VEDHTPZUNFZLHZ-FJZITDFESA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105284521)

(2Z)-2-[3-[(3aR,4S,9S,9aR)-1,8,9-trihydroxy-1,4,7-trimethyl-5,6-dioxo-3,3a,9,9a-tetrahydro-2H-cyclopenta[b]naphthalen-4-yl]propylidene]-6-methylhept-5-enoic acid

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Identifiers

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