(Q104938584)

English

(1R,8S)-3,4-dimethoxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one

group of stereoisomers with the chemical formula C₂₂H₃₀O₄

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Statements

instance of

group of stereoisomers

0 references

1 reference

358.21440944 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₀O₄

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canonical SMILES

O=C1OC2C3=CC(=C(OC)C(OC)=C3C14CCCC(C)(C)C4C2)C(C)C

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isomeric SMILES

COc1c(C(C)C)cc2c(c1OC)[C@@]13CCCC(C)(C)C1C[C@@H]2OC3=O

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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/C22H30O4/c1-12(2)13-10-14-15-11-16-21(3,4)8-7-9-22(16,20(23)26-15)17(14)19(25-6)18(13)24-5/h10,12,15-16H,7-9,11H2,1-6H3/t15-,16?,22+/m0/s1

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InChIKey

BMUVJFGCCPHXOJ-RYVCVBLFSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BMUVJFGCCPHXOJ-RYVCVBLFSA-N

(Q104938584)

(1R,8S)-3,4-dimethoxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one

Statements

Identifiers

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