(Q105272325)

English

(1R,8R,9S,11R,13R,14R,16R,17R,18S,19R)-16,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-13-yl 3,4-dimethoxybenzoate

group of stereoisomers with the chemical formula C₂₉H₃₅NO₆

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Statements

instance of

group of stereoisomers

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subclass of

atidane / atisine / hetisan type alkaloid

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inferred from

atidane / atisine / hetisan type alkaloid

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493.2464378399999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₉H₃₅NO₆

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canonical SMILES

O=C(OC1C(=C)C2CC3C4N5CC6(C)CCCC47C(C2O)C13CC5(O)C67)C8=CC=C(OC)C(OC)=C8

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isomeric SMILES

C=C1[C@H]2C[C@@H]3[C@H]4N5CC6(C)CCC[C@]47[C@H]([C@@H]2O)[C@]3(C[C@@]5(O)[C@H]67)[C@@H]1OC(=O)c1ccc(OC)c(OC)c1

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Identifiers

InChI

InChI=1S/C29H35NO6/c1-14-16-11-17-22-27-9-5-8-26(2)13-30(22)29(33,25(26)27)12-28(17,21(27)20(16)31)23(14)36-24(32)15-6-7-18(34-3)19(10-15)35-4/h6-7,10,16-17,20-23,25,31,33H,1,5,8-9,11-13H2,2-4H3/t16-,17-,20-,21+,22-,23-,25-,26?,27+,28-,29-/m1/s1

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InChIKey

UGFXGERAVXLFDK-FAJIDBHFSA-N

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PubChem CID

163191296

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

UGFXGERAVXLFDK-FAJIDBHFSA-N

(Q105272325)

(1R,8R,9S,11R,13R,14R,16R,17R,18S,19R)-16,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-13-yl 3,4-dimethoxybenzoate

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