(Q104986973)

English

16,27-dimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.1⁴,³⁰.1¹⁰,¹⁴.1¹⁵,¹⁹.0³,⁸.0²⁵,³³.0²⁸,³²]hexatriaconta-1(30),2,4(34),10,12,14(36),15(35),16,18,25,27,32-dodecaen-13-ol

group of stereoisomers with the chemical formula C₃₆H₃₆N₂O₅

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Statements

instance of

group of stereoisomers

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subclass of

isoquinoline alkaloid

1 reference

inferred from

isoquinoline alkaloid

mass

576.6828 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₃₆N₂O₅

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canonical SMILES

OC=1C=CC2=CC1C3=CC(=CC=C3OC)CC4C5=C6OC=7C=C8C(=CC7OC6=C(OC)C=C5CCN4C)CCN(C)C8C2

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Identifiers

InChI

InChI=1S/C36H36N2O5/c1-37-11-9-22-17-31-32-19-24(22)27(37)15-20-5-7-29(39)25(13-20)26-14-21(6-8-30(26)40-3)16-28-34-23(10-12-38(28)2)18-33(41-4)35(42-31)36(34)43-32/h5-8,13-14,17-19,27-28,39H,9-12,15-16H2,1-4H3

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InChIKey

DQIJJKSVYLLDQW-UHFFFAOYSA-N

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CAS Registry Number

27073-72-9

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

retrieved

25 January 2022

PubChem CID

179494

1 reference

matched by identifier from

InChIKey

DQIJJKSVYLLDQW-UHFFFAOYSA-N

DSSTox substance ID

DTXSID801098680

1 reference

matched by identifier from

InChIKey

DQIJJKSVYLLDQW-UHFFFAOYSA-N

(Q104986973)

16,27-dimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.1⁴,³⁰.1¹⁰,¹⁴.1¹⁵,¹⁹.0³,⁸.0²⁵,³³.0²⁸,³²]hexatriaconta-1(30),2,4(34),10,12,14(36),15(35),16,18,25,27,32-dodecaen-13-ol

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