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Onchitrio I D
SpectraBase Compound ID 7pDeAhePiNG
InChI InChI=1S/C40H58O10/c1-15-30-22(7)34(44)25(10)39(47-30)28(13)40(49-33(43)18-4)27(12)37(48-32(42)17-3)21(6)19-20(5)36-24(9)35(45)26(11)38(50-36)23(8)31(16-2)46-29(14)41/h19-20,23,27-28,31,37,40H,15-18H2,1-14H3/b21-19+/t20-,23+,27+,28-,31-,37-,40-/m0/s1
InChIKey UWQBFTANAVZYGY-KVOBTBAHSA-N
Mol Weight 698.9 g/mol
Molecular Formula C40H58O10
Exact Mass 698.402998 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6LN5NPL1cjm
Name Onchitrio I D
CAS Registry Number 142132-14-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H58O10
InChI InChI=1S/C40H58O10/c1-15-30-22(7)34(44)25(10)39(47-30)28(13)40(49-33(43)18-4)27(12)37(48-32(42)17-3)21(6)19-20(5)36-24(9)35(45)26(11)38(50-36)23(8)31(16-2)46-29(14)41/h19-20,23,27-28,31,37,40H,15-18H2,1-14H3/b21-19+/t20-,23+,27+,28-,31-,37-,40-/m0/s1
InChIKey UWQBFTANAVZYGY-KVOBTBAHSA-N
Molecular Weight 698.894 g/mol
SMILES C1(=C(C(=O)C(=C(O1)CC)C)C)[C@@]([C@]([C@@]([C@](\C(=C\[C@@](C1=C(C(=O)C(=C(O1)[C@@]([C@@](OC(=O)C)(CC)[H])(C)[H])C)C)(C)[H])C)(OC(=O)CC)[H])(C)[H])(OC(=O)CC)[H])(C)[H]
SPLASH splash10-001i-0910144000-8bc96e0991b0166a6d12
Source of Spectrum J-57-4631-8
Wiley ID 1415002