(Q105280076)

English

(1R,3aR,8R,12R)-1,12-dihydroxy-6-(hydroxymethyl)-1-isopropyl-3a,10-dimethyl-2H,3H,4H,7H,8H,11H,12H,12aH-cyclopenta[11]annulen-8-yl acetate

group of stereoisomers with the chemical formula C₂₂H₃₆O₅

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Statements

group of stereoisomers

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dolabellane diterpenoid

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dolabellane diterpenoid

380.25627425199997 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₂H₃₆O₅

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canonical SMILES

O=C(OC1C=C(C)CC(O)C2C(O)(CCC2(C)CC=C(CO)C1)C(C)C)C

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isomeric SMILES

CC(=O)O[C@H]1/C=C(\C)C[C@@H](O)C2[C@@](C)(C/C=C(\CO)C1)CC[C@@]2(O)C(C)C

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Identifiers

InChI=1S/C22H36O5/c1-14(2)22(26)9-8-21(5)7-6-17(13-23)12-18(27-16(4)24)10-15(3)11-19(25)20(21)22/h6,10,14,18-20,23,25-26H,7-9,11-13H2,1-5H3/b15-10+,17-6-/t18-,19+,20?,21-,22+/m0/s1

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UVSDLGIXSNUFRQ-GWLIGSBZSA-N

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based on heuristic

inferred from InChIKey

matched by identifier from

UVSDLGIXSNUFRQ-GWLIGSBZSA-N

UniChem compound ID

1 reference

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