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PERACETYLATED-CROCIN
SpectraBase Compound ID FJd25AjYQve
InChI InChI=1S/C72H92O38/c1-33(25-21-27-35(3)67(87)109-71-65(103-49(17)85)61(99-45(13)81)57(95-41(9)77)53(107-71)31-91-69-63(101-47(15)83)59(97-43(11)79)55(93-39(7)75)51(105-69)29-89-37(5)73)23-19-20-24-34(2)26-22-28-36(4)68(88)110-72-66(104-50(18)86)62(100-46(14)82)58(96-42(10)78)54(108-72)32-92-70-64(102-48(16)84)60(98-44(12)80)56(94-40(8)76)52(106-70)30-90-38(6)74/h19-28,51-66,69-72H,29-32H2,1-18H3/b20-19+,25-21+,26-22+,33-23+,34-24+,35-27+,36-28+/t51-,52-,53+,54+,55-,56-,57+,58+,59+,60+,61-,62-,63-,64-,65+,66+,69-,70-,71-,72-/m0/s1
InChIKey UXNMEXDBDIEWMB-ICKHQGPHSA-N
Mol Weight 1565.5 g/mol
Molecular Formula C72H92O38
Exact Mass 1564.526658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lx3TODmQCu9
Name PERACETYLATED-CROCIN
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C72H92O38
InChI InChI=1S/C72H92O38/c1-33(25-21-27-35(3)67(87)109-71-65(103-49(17)85)61(99-45(13)81)57(95-41(9)77)53(107-71)31-91-69-63(101-47(15)83)59(97-43(11)79)55(93-39(7)75)51(105-69)29-89-37(5)73)23-19-20-24-34(2)26-22-28-36(4)68(88)110-72-66(104-50(18)86)62(100-46(14)82)58(96-42(10)78)54(108-72)32-92-70-64(102-48(16)84)60(98-44(12)80)56(94-40(8)76)52(106-70)30-90-38(6)74/h19-28,51-66,69-72H,29-32H2,1-18H3/b20-19+,25-21+,26-22+,33-23+,34-24+,35-27+,36-28+/t51-,52-,53+,54+,55-,56-,57+,58+,59+,60+,61-,62-,63-,64-,65+,66+,69-,70-,71-,72-/m0/s1
InChIKey UXNMEXDBDIEWMB-ICKHQGPHSA-N
Literature Reference Author Y.UEKUSA,N.SUGIMOTO,K.SATO,Y.S.YUN,A.KUNUGI,T.YAMAZAKI,K.I.T ANAMOTO
Literature Reference Citation CHEM.PHARM.BULL.,55,1643(2007)
Literature Reference DOI 10.1248/cpb.55.1643
Molecular Weight 1565.500 g/mol
Sample ID 56238
Solvent CDCl3