(1S,4aS,5R,8aS)-5-[(7-hydroxy-2,6-dimethyl-5,8-dioxonaphthalen-1-yl)methyl]-1,4a-dimethyl-6-methylidene-hexahydro-2H-naphthalene-1-carboxylic acid (Q105279073)

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chemical compound

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Language	Label	Description	Also known as
English	(1S,4aS,5R,8aS)-5-[(7-hydroxy-2,6-dimethyl-5,8-dioxonaphthalen-1-yl)methyl]-1,4a-dimethyl-6-methylidene-hexahydro-2H-naphthalene-1-carboxylic acid	chemical compound

Statements

instance of

type of chemical entity

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subclass of

5-[(7-hydroxy-2,6-dimethyl-5,8-dioxonaphthalen-1-yl)methyl]-1,4a-dimethyl-6-methylidene-hexahydro-2H-naphthalene-1-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

436.224974124 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₂O₅

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canonical SMILES

O=C1C(O)=C(C(=O)C2=CC=C(C(=C12)CC3C(=C)CCC4C(C(=O)O)(C)CCCC34C)C)C

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isomeric SMILES

C=C1CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@@H]1Cc1c(C)ccc2c1C(=O)C(O)=C(C)C2=O

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found in taxon

Pycnanthus angolensis

1 reference

stated in

Pycnanthuquinone C: a new terpenoid-quinone from Pycnanthus angolensis

Identifiers

InChI

InChI=1S/C27H32O5/c1-14-7-9-17-21(24(30)23(29)16(3)22(17)28)18(14)13-19-15(2)8-10-20-26(19,4)11-6-12-27(20,5)25(31)32/h7,9,19-20,29H,2,6,8,10-13H2,1,3-5H3,(H,31,32)/t19-,20+,26+,27+/m1/s1

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InChIKey

UTTDRYQLKRWJQS-NJPOAPHHSA-N

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