| SpectraBase Compound ID | DRiQhKW6HXm |
|---|---|
| InChI | InChI=1S/C67H102O34/c1-19-27-46(28-25-23-21-20-22-24-26-29-47(79)80-18)97-63-61(55(92-41(13)74)50(30(2)81-63)88-37(9)70)100-66-60(96-45(17)78)56(93-42(14)75)52(34(6)85-66)98-67-62(101-65-59(95-44(16)77)54(91-40(12)73)49(32(4)83-65)87-36(8)69)57(51(33(5)84-67)89-38(10)71)99-64-58(94-43(15)76)53(90-39(11)72)48(31(3)82-64)86-35(7)68/h30-34,46,48-67H,19-29H2,1-18H3/t30-,31-,32-,33+,34+,46-,48-,49-,50-,51+,52+,53+,54+,55+,56-,57-,58+,59+,60-,61-,62+,63+,64-,65-,66+,67-/m1/s1 |
| InChIKey | HTPWHLFUYXZRKW-SKQJPHMZSA-N |
| Mol Weight | 1451.5 g/mol |
| Molecular Formula | C67H102O34 |
| Exact Mass | 1450.62525 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2qKKCJJ9bEo |
|---|---|
| Name | PERACETYLALBINOSINIC_ACID_B_METHYLESTER |
| Compound Number | 5A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C67H102O34 |
| InChI | InChI=1S/C67H102O34/c1-19-27-46(28-25-23-21-20-22-24-26-29-47(79)80-18)97-63-61(55(92-41(13)74)50(30(2)81-63)88-37(9)70)100-66-60(96-45(17)78)56(93-42(14)75)52(34(6)85-66)98-67-62(101-65-59(95-44(16)77)54(91-40(12)73)49(32(4)83-65)87-36(8)69)57(51(33(5)84-67)89-38(10)71)99-64-58(94-43(15)76)53(90-39(11)72)48(31(3)82-64)86-35(7)68/h30-34,46,48-67H,19-29H2,1-18H3/t30-,31-,32-,33+,34+,46-,48-,49-,50-,51+,52+,53+,54+,55+,56-,57-,58+,59+,60-,61-,62+,63+,64-,65-,66+,67-/m1/s1 |
| InChIKey | HTPWHLFUYXZRKW-SKQJPHMZSA-N |
| Literature Reference Author | S.CRUZ-MORALES,J.CASTANEDA-GOMEZ,G.FIGUEROA-GONZALEZ,A.D.MEN DOZA-GARCIA,A.LORENC |
| Literature Reference Citation | J.NAT.PROD.,75,1603(2012) |
| Literature Reference DOI | 10.1021/np300414d |
| Molecular Weight | 1451.526 g/mol |
| Sample ID | 41448 |
| Solvent | C5D5N |