(Q105383146)

English

4,8,9-trimethoxy-16,16-dimethyl-13,17-dioxa-11,25-diazaheptacyclo[13.12.0.0²,¹⁴.0³,¹².0⁵,¹⁰.0¹⁸,²⁷.0¹⁹,²⁴]heptacosa-3(12),4,6,8,10,18(27),19,21,23,25-decaen-26-ol

group of stereoisomers with the chemical formula C₂₈H₂₆N₂O₆

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Statements

instance of

group of stereoisomers

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subclass of

furoquinoline alkaloid

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inferred from

furoquinoline alkaloid

mass

486.5169 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₈H₂₆N₂O₆

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canonical SMILES

OC=1N=C2C=CC=CC2=C3OC(C)(C)C4C5OC=6N=C7C(OC)=C(OC)C=CC7=C(OC)C6C5C4C13

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Identifiers

InChI

InChI=1S/C28H26N2O6/c1-28(2)20-16(18-23(36-28)12-8-6-7-9-14(12)29-26(18)31)17-19-22(33-4)13-10-11-15(32-3)24(34-5)21(13)30-27(19)35-25(17)20/h6-11,16-17,20,25H,1-5H3,(H,29,31)

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InChIKey

ZTSCGHFGGQONGE-UHFFFAOYSA-N

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CAS Registry Number

120931-43-3

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stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

1 reference

inferred from InChIKey

1 reference

(Q105383146)

4,8,9-trimethoxy-16,16-dimethyl-13,17-dioxa-11,25-diazaheptacyclo[13.12.0.0²,¹⁴.0³,¹².0⁵,¹⁰.0¹⁸,²⁷.0¹⁹,²⁴]heptacosa-3(12),4,6,8,10,18(27),19,21,23,25-decaen-26-ol

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