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2H,16H-1,24-Etheno-6,10:11,15-dimethenopyrido[2',3':17,18]oxacycloei cosino[2,3,4-ij]isoquinoline, rodiasine deriv.
SpectraBase Compound ID 2aJlqsRloTn
InChI InChI=1S/C41H42N2O9/c1-22(44)50-33-11-9-27-18-30(33)29-16-24(8-10-32(29)47-5)17-31-28-21-35(34(48-6)19-25(28)12-14-42(31)3)52-41-37-26(13-15-43(4)38(37)39(27)46)20-36(49-7)40(41)51-23(2)45/h8-11,16,18-21,31,38H,12-15,17H2,1-7H3/t31-,38-/m1/s1
InChIKey ZXKOEVWPLKPAOZ-XWDCEDKXSA-N
Mol Weight 706.8 g/mol
Molecular Formula C41H42N2O9
Exact Mass 706.289031 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3f5Ck3quiR
Name 2H,16H-1,24-Etheno-6,10:11,15-dimethenopyrido[2',3':17,18]oxacycloei cosino[2,3,4-ij]isoquinoline, rodiasine deriv.
CAS Registry Number 104778-20-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H42N2O9
InChI InChI=1S/C41H42N2O9/c1-22(44)50-33-11-9-27-18-30(33)29-16-24(8-10-32(29)47-5)17-31-28-21-35(34(48-6)19-25(28)12-14-42(31)3)52-41-37-26(13-15-43(4)38(37)39(27)46)20-36(49-7)40(41)51-23(2)45/h8-11,16,18-21,31,38H,12-15,17H2,1-7H3/t31-,38-/m1/s1
InChIKey ZXKOEVWPLKPAOZ-XWDCEDKXSA-N
Molecular Weight 706.792 g/mol
SMILES c12c3Oc4cc5[C@](N(C)CCc5cc4OC)(Cc4cc(-c5cc(C([C@@]1(N(C)CCc2cc(OC)c3OC(=O)C)[H])=O)ccc5OC(=O)C)c(cc4)OC)[H]
SPLASH splash10-0a4i-0100004900-6cfeb0edb51b769049f1
Source of Spectrum I-64-1394-3
Synonyms Rodiasine, O7,O12-diacetyl-O7,O12-didemethyl-O12'-methyl-15-oxo- (1R,14R)-9-(acetyloxy)-6,20,25-trimethoxy-15,30-dimethyl-13-oxo-23-oxa-15,30-diazaheptacyclo[22.6.2.1(3,7).1(8,12).1(14,18).0(27,31).0(22,33)]pentatriaconta-3(35),4,6,8(34),9,11,18(33),19,21,24(32),25,27(31)-dodecaen-21-yl acetate O,O-diacetylpseudoxandrine Pseudoxandrine diacetate
Wiley ID 1415225