(Q105159402)

English

(4aR,7R,8aS)-7-ethenyl-8a-hydroxy-1,1,4a,7-tetramethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthren-9-one

group of stereoisomers with the chemical formula C₂₀H₃₂O₂

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Statements

group of stereoisomers

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pimarane diterpenoid

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pimarane diterpenoid

304.240230264 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₂O₂

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canonical SMILES

O=C1CC2C(C)(C)CCCC2(C)C3CCC(C=C)(C)CC13O

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isomeric SMILES

C=C[C@]1(C)CCC2[C@@](O)(C1)C(=O)CC1C(C)(C)CCC[C@]12C

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Vellozia compacta

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Diterpenes with pimarane and cleistanthane skeletons from Vellozia piresiana

Identifiers

InChI=1S/C20H32O2/c1-6-18(4)11-8-14-19(5)10-7-9-17(2,3)15(19)12-16(21)20(14,22)13-18/h6,14-15,22H,1,7-13H2,2-5H3/t14?,15?,18-,19+,20+/m1/s1

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LYKJEJVAXSGWAJ-TVCCVRHBSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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