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46;BIS-[1R,13R-(1-ALPHA,4A-ALPHA,9B-ALPHA,13-ALPHA,13A-BETA,18A-BETA)]-6,8-DIMETHOXY-1,13-BISMETHOXYMETHYL-1,4A,9B,13-TETRAMETHYL-1,2,3,4,4A,9B,10,11,12,13,13A
SpectraBase Compound ID 8klz4Otl5aB
InChI InChI=1S/C39H53NO5/c1-36(21-42-5)15-9-17-38(3)25-19-27(44-7)31-33(23(25)11-13-29(36)38)40-34-24-12-14-30-37(2,22-43-6)16-10-18-39(30,4)26(24)20-28(45-8)32(34)35(31)41/h19-20,29-30H,9-18,21-22H2,1-8H3,(H,40,41)/t29?,30?,36-,37-,38-,39-/m1/s1
InChIKey GIYZGEOFMFHBCD-ZDQWXGMQSA-N
Mol Weight 615.9 g/mol
Molecular Formula C39H53NO5
Exact Mass 615.392374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dktzz1oWMgW
Name bis[1R,13R-(1a,4aa,9ba,13a,13ab,18ab)]-6,8-dimethoxy-1,13-bismethoxymethyl-1,4a,9b,13-tetramethyl-1,2,3,4,4a,9b,10,11,12,13,13a,14,15,17,18,18a-hexadecahydronaphtho[1,2-ch]acridin-9(18H)-one
Alternate Name(s) (1S,4aS,9bS,13S)-6,8-dimethoxy-1,13-bis(methoxymethyl)-1,4a,9b,13-tetramethyl-2,3,4,4a,9b,10,11,12,13,13a,14,15,16,17,18,18a-hexadecahydrodinaphtho[1,2-c:2,1-h]acridin-7(1H)-one
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Formula C39H53NO5
InChI InChI=1S/C39H53NO5/c1-36(21-42-5)15-9-17-38(3)25-19-27(44-7)31-33(23(25)11-13-29(36)38)40-34-24-12-14-30-37(2,22-43-6)16-10-18-39(30,4)26(24)20-28(45-8)32(34)35(31)41/h19-20,29-30H,9-18,21-22H2,1-8H3,(H,40,41)/t29?,30?,36-,37-,38-,39-/m1/s1
InChIKey GIYZGEOFMFHBCD-ZDQWXGMQSA-N
Molecular Weight 615.855 g/mol
SMILES N1c2c(C(c3c1c1CCC4[C@@](c1cc3OC)(CCC[C@@]4(COC)C)C)=O)c(cc1[C@@]3(C(CCc21)[C@](CCC3)(COC)C)C)OC
SPLASH splash10-014i-0000009000-6f15fef0536dc712a3fd
Source of Spectrum B-47-1815-0
Wiley ID 1411276