(Q105151927)

English

(1R,3R,4S,5S,8R,9S,11S,17S,18R)-3,4-dihydroxy-5,7-dimethyl-12-methylidene-7-azahexacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-10,16-dione

group of stereoisomers with the chemical formula C₂₁H₂₇NO₄

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Statements

group of stereoisomers

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atidane / atisine / hetisan type alkaloid

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atidane / atisine / hetisan type alkaloid

357.194008344 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₁H₂₇NO₄

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canonical SMILES

O=C1CC23CC(=C)C4C(=O)C3C5N(C)CC6(C)C(O)C(O)CC5(C16)C2C4

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isomeric SMILES

C=C1CC23CC(=O)[C@@H]4[C@@]5(C)CN(C)[C@@H]6[C@H]2C(=O)[C@H]1C[C@H]3[C@]46C[C@@H](O)[C@H]5O

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Identifiers

InChI=1S/C21H27NO4/c1-9-5-20-6-11(23)16-19(2)8-22(3)17-14(20)15(25)10(9)4-13(20)21(16,17)7-12(24)18(19)26/h10,12-14,16-18,24,26H,1,4-8H2,2-3H3/t10-,12+,13+,14+,16+,17+,18+,19+,20?,21+/m0/s1

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LHSMCOYXDSMPQS-YUMCAJITSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

LHSMCOYXDSMPQS-YUMCAJITSA-N

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