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(9,10,9',10')-Tetradehydrido-disorazole C1

View entire compound with spectra: 1 MS (GC)

(9,10,9',10')-Tetradehydrido-disorazole C1
SpectraBase Compound ID 1mZtE8VRiAr
InChI InChI=1S/C44H54N2O10/c1-9-21-35(47)43(3,4)37-25-19-15-11-13-17-23-32(52-8)28-40-46-34(30-54-40)42(50)56-38(44(5,6)36(48)22-10-2)26-20-16-12-14-18-24-31(51-7)27-39-45-33(29-53-39)41(49)55-37/h9-10,15-24,29-32,35-38,47-48H,25-28H2,1-8H3/b19-15-,20-16-,21-9+,22-10+,23-17+,24-18+/t31-,32-,35-,36-,37-,38-/m0/s1
InChIKey SGERIOIHZLOUBY-JBOWCJGZSA-N
Mol Weight 770.9 g/mol
Molecular Formula C44H54N2O10
Exact Mass 770.377846 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3jC5I2NE5g
Name (9,10,9',10')-Tetradehydrido-disorazole C1
Alternate Name(s) (4S,6Z,10E,12R,20S,22Z,26E,28R)-4,20-bis((S,E)-3-hydroxy-2-methylhex-4-en-2-yl)-12,28-dimethoxy-3,15,19,31-tetraoxa-33,34-diazatricyclo[28.2.1.1(14,17)]tetratriaconta-1(32),6,10,14(34),16,22,26,30(33)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H54N2O10
InChI InChI=1S/C44H54N2O10/c1-9-21-35(47)43(3,4)37-25-19-15-11-13-17-23-32(52-8)28-40-46-34(30-54-40)42(50)56-38(44(5,6)36(48)22-10-2)26-20-16-12-14-18-24-31(51-7)27-39-45-33(29-53-39)41(49)55-37/h9-10,15-24,29-32,35-38,47-48H,25-28H2,1-8H3/b19-15-,20-16-,21-9+,22-10+,23-17+,24-18+/t31-,32-,35-,36-,37-,38-/m0/s1
InChIKey SGERIOIHZLOUBY-JBOWCJGZSA-N
Literature Reference DOI 10.1002/anie.201501922
Molecular Weight 770.920 g/mol
SMILES O[C@](C([C@@]1(C\C=C/C#C\C=C\[C@@](Cc2occ(C(O[C@](C([C@](\C=C\C)(O)[H])(C)C)(C\C=C/C#C\C=C\[C@@](Cc3occ(C(O1)=O)n3)(OC)[H])[H])=O)n2)(OC)[H])[H])(C)C)(\C=C\C)[H]
SPLASH splash10-066s-9060007100-18feede0f9dec0a0efac
Source of Spectrum ACI-54-7086/SMS22-35
Wiley ID 1761224