(Q105360091)

English

methyl (4aR)-5,6-dimethoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene-4a-carboxylate

group of stereoisomers with the chemical formula C₂₃H₃₂O₄

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Statements

instance of

group of stereoisomers

0 references

1 reference

372.230059504 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₂O₄

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canonical SMILES

O=C(OC)C12C=3C(OC)=C(OC)C(=CC3C=CC1C(C)(C)CCC2)C(C)C

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isomeric SMILES

COC(=O)[C@]12CCCC(C)(C)C1C=Cc1cc(C(C)C)c(OC)c(OC)c12

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found in taxon

Rosmarinus officinalis

1 reference

stated in

Isolation, structure determination, and absolute configuration of barbatusol, a new bioactive diterpene with a rearranged abietane skeleton from the labiate coleus barbatus

Identifiers

InChI

InChI=1S/C23H32O4/c1-14(2)16-13-15-9-10-17-22(3,4)11-8-12-23(17,21(24)27-7)18(15)20(26-6)19(16)25-5/h9-10,13-14,17H,8,11-12H2,1-7H3/t17?,23-/m1/s1

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InChIKey

YSNDSABGXVFRFW-IRCUZVAFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YSNDSABGXVFRFW-IRCUZVAFSA-N

(Q105360091)

methyl (4aR)-5,6-dimethoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene-4a-carboxylate

Statements

Identifiers

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