(Q105006347)

English

(16R,19S)-13,16-dimethyl-19-(prop-1-en-2-yl)-6-[(1S)-3,3,5-trimethyl-1H,2H,11H-pyrano[3,2-a]carbazol-1-yl]-15-oxa-4-azapentacyclo[14.3.1.0²,¹⁴.0³,¹¹.0⁵,¹⁰]icosa-2(14),3(11),5(10),6,8,12-hexaene

group of stereoisomers with the chemical formula C₄₁H₄₂N₂O₂

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Statements

instance of

group of stereoisomers

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subclass of

menthane monoterpenoids

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inferred from

menthane monoterpenoids

1 reference

594.324628584 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₄₁H₄₂N₂O₂

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canonical SMILES

O1C=2C(=CC=3C=4C=CC=CC4NC3C2C(C5=CC=CC=6C7=CC(=C8OC9(C)CCC(C(=C)C)C(C8=C7NC65)C9)C)CC1(C)C)C

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isomeric SMILES

C=C(C)[C@H]1CC[C@]2(C)CC1c1c(c(C)cc3c1[nH]c1c([C@@H]4CC(C)(C)Oc5c(C)cc6c([nH]c7ccccc76)c54)cccc13)O2

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Identifiers

InChI

InChI=1S/C41H42N2O2/c1-21(2)24-15-16-41(7)20-31(24)34-37-29(18-23(4)39(34)45-41)26-12-10-13-27(35(26)43-37)30-19-40(5,6)44-38-22(3)17-28-25-11-8-9-14-32(25)42-36(28)33(30)38/h8-14,17-18,24,30-31,42-43H,1,15-16,19-20H2,2-7H3/t24-,30+,31?,41-/m1/s1

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InChIKey

GCLYVMBVNJATJH-GCMHEAADSA-N

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PubChem CID

163187263

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based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

GCLYVMBVNJATJH-GCMHEAADSA-N

(Q105006347)

(16R,19S)-13,16-dimethyl-19-(prop-1-en-2-yl)-6-[(1S)-3,3,5-trimethyl-1H,2H,11H-pyrano[3,2-a]carbazol-1-yl]-15-oxa-4-azapentacyclo[14.3.1.0²,¹⁴.0³,¹¹.0⁵,¹⁰]icosa-2(14),3(11),5(10),6,8,12-hexaene

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