(Q105193885)

English

methyl (1R,4aR,4bS,6R,7S)-7-ethenyl-6-hydroxy-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylate

group of stereoisomers with the chemical formula C₂₁H₃₂O₃

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Statements

group of stereoisomers

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pimarane diterpenoid

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pimarane diterpenoid

332.23514488399996 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₁H₃₂O₃

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canonical SMILES

O=C(OC)C1(C)CCCC2(C)C3C(=CCC12)CC(C=C)(C)C(O)C3

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isomeric SMILES

C=C[C@]1(C)CC2=CCC3[C@](C)(C(=O)OC)CCC[C@]3(C)[C@H]2C[C@H]1O

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Identifiers

InChI=1S/C21H32O3/c1-6-19(2)13-14-8-9-16-20(3,15(14)12-17(19)22)10-7-11-21(16,4)18(23)24-5/h6,8,15-17,22H,1,7,9-13H2,2-5H3/t15-,16?,17+,19+,20+,21+/m0/s1

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OLBJZJJCPIJGGV-FKFNPBDMSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

OLBJZJJCPIJGGV-FKFNPBDMSA-N

UniChem compound ID

1 reference

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