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(+-)-43-O-Methylmanzamenone A D4
SpectraBase Compound ID 7dRFZ3ZLE7W
InChI InChI=1S/C47H80O7/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-37-36-39(45(49)52-3)42-41(40(37)46(50)53-4)38(43(44(42)48)47(51)54-5)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h36,39-42H,6-35H2,1-5H3/t39-,40-,41-,42+/m0/s1/i3D3,40D
InChIKey HSIALCIREORVPN-YBNVDSTNSA-N
Mol Weight 761.2 g/mol
Molecular Formula C47H762D4O7
Exact Mass 760.615512 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CHwgGl89DHI
Name (+-)-43-O-Methylmanzamenone A D4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C47H76D4O7
InChI InChI=1S/C47H80O7/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-37-36-39(45(49)52-3)42-41(40(37)46(50)53-4)38(43(44(42)48)47(51)54-5)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h36,39-42H,6-35H2,1-5H3/t39-,40-,41-,42+/m0/s1/i3D3,40D
InChIKey HSIALCIREORVPN-YBNVDSTNSA-N
Molecular Weight 761.174 g/mol
SMILES C1(=C([C@]2([C@](C(CCCCCCCCCCCCCCCC)=C[C@@]([C@]2(C1=O)[H])(C(=O)OC([2D])([2D])[2D])[H])(C(=O)OC)[2D])[H])CCCCCCCCCCCCCCCC)C(=O)OC
SPLASH splash10-004j-9080002100-5e2e815b7511b9c0f23d
Source of Spectrum K-2002-484-36
Wiley ID 1580819