| SpectraBase Compound ID | 3stv3HIbIGe |
|---|---|
| InChI | InChI=1S/C69H104O36/c1-19-27-47(28-25-23-21-20-22-24-26-29-49(82)83-18)101-66-63(58(97-43(14)78)53(32(3)86-66)92-38(9)73)105-69-64(104-68-62(100-46(17)81)57(96-42(13)77)52(34(5)88-68)91-37(8)72)59(98-44(15)79)54(93-39(10)74)48(102-69)30-84-65-60(55(94-40(11)75)50(31(2)85-65)89-35(6)70)103-67-61(99-45(16)80)56(95-41(12)76)51(33(4)87-67)90-36(7)71/h31-34,47-48,50-69H,19-30H2,1-18H3/t31-,32+,33+,34+,47-,48-,50-,51+,52+,53+,54-,55+,56-,57-,58-,59+,60-,61-,62-,63+,64-,65-,66-,67+,68+,69+/m0/s1 |
| InChIKey | GRMRWOJKHBKXKK-ZZEBDBKWSA-N |
| Mol Weight | 1509.6 g/mol |
| Molecular Formula | C69H104O36 |
| Exact Mass | 1508.63073 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1kqzUDDMmY5 |
|---|---|
| Name | PERACETYLALBINOSINIC_ACID_A_METHYLESTER |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C69H104O36 |
| InChI | InChI=1S/C69H104O36/c1-19-27-47(28-25-23-21-20-22-24-26-29-49(82)83-18)101-66-63(58(97-43(14)78)53(32(3)86-66)92-38(9)73)105-69-64(104-68-62(100-46(17)81)57(96-42(13)77)52(34(5)88-68)91-37(8)72)59(98-44(15)79)54(93-39(10)74)48(102-69)30-84-65-60(55(94-40(11)75)50(31(2)85-65)89-35(6)70)103-67-61(99-45(16)80)56(95-41(12)76)51(33(4)87-67)90-36(7)71/h31-34,47-48,50-69H,19-30H2,1-18H3/t31-,32+,33+,34+,47-,48-,50-,51+,52+,53+,54-,55+,56-,57-,58-,59+,60-,61-,62-,63+,64-,65-,66-,67+,68+,69+/m0/s1 |
| InChIKey | GRMRWOJKHBKXKK-ZZEBDBKWSA-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 | 1509.563 g/mol |
| Sample ID | 41446 |
| Solvent | C5D5N |