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[1R-( 1.alpha.,4a.beta.,10a.alpha.)]-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1'-methylethyl)-1-phenanthrenemethyl-peracetyl-( O-.beta.-D-glucopyranoside)

View entire compound with spectra: 1 MS (GC)

[1R-( 1.alpha.,4a.beta.,10a.alpha.)]-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1'-methylethyl)-1-phenanthrenemethyl-peracetyl-( O-.beta.-D-glucopyranoside)
SpectraBase Compound ID A4ill52jlwS
InChI InChI=1S/C34H48O10/c1-19(2)24-10-12-26-25(16-24)11-13-28-33(7,14-9-15-34(26,28)8)18-40-32-31(43-23(6)38)30(42-22(5)37)29(41-21(4)36)27(44-32)17-39-20(3)35/h10,12,16,19,27-32H,9,11,13-15,17-18H2,1-8H3/t27-,28?,29-,30+,31-,32-,33?,34?/m1/s1
InChIKey HIQUTNGOCRGKIQ-NYTILJRMSA-N
Mol Weight 616.7 g/mol
Molecular Formula C34H48O10
Exact Mass 616.324748 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3xaM9W28aUs
Name [1R-( 1.alpha.,4a.beta.,10a.alpha.)]-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1'-methylethyl)-1-phenanthrenemethyl-peracetyl-( O-.beta.-D-glucopyranoside)
Alternate Name(s) abieta-9(11),8(14),12-trien-18-yl 2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranoside
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H48O10
InChI InChI=1S/C34H48O10/c1-19(2)24-10-12-26-25(16-24)11-13-28-33(7,14-9-15-34(26,28)8)18-40-32-31(43-23(6)38)30(42-22(5)37)29(41-21(4)36)27(44-32)17-39-20(3)35/h10,12,16,19,27-32H,9,11,13-15,17-18H2,1-8H3/t27-,28?,29-,30+,31-,32-,33?,34?/m1/s1
InChIKey HIQUTNGOCRGKIQ-NYTILJRMSA-N
Molecular Weight 616.748 g/mol
SMILES [C@@]1([C@]([C@](OCC2(C3C(c4ccc(cc4CC3)C(C)C)(C)CCC2)C)(O[C@@]([C@]1(OC(=O)C)[H])(COC(=O)C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H]
SPLASH splash10-014l-5932000000-6953e6314178ce3d5e29
Source of Spectrum AH-128-1013-9
Wiley ID 1411324