| SpectraBase Compound ID | 70BAK9qY7oC |
|---|---|
| InChI | InChI=1S/C70H114O40/c1-7-16-32(19-14-9-8-10-15-20-33(101-65-54(91)48(85)43(80)35(22-71)102-65)21-38(75)94-25-34(74)31-17-12-11-13-18-31)100-68-60(49(86)41(78)28(4)98-68)110-70-62(51(88)45(82)37(24-73)104-70)109-67-56(93)59(57(30(6)99-67)105-63-52(89)46(83)39(76)26(2)95-63)107-69-61(50(87)44(81)36(23-72)103-69)108-66-55(92)58(42(79)29(5)97-66)106-64-53(90)47(84)40(77)27(3)96-64/h11-13,17-18,26-30,32-33,35-37,39-73,76-93H,7-10,14-16,19-25H2,1-6H3/t26-,27-,28-,29+,30+,32+,33+,35+,36+,37-,39-,40-,41+,42+,43+,44+,45-,46+,47+,48-,49+,50-,51+,52-,53+,54+,55+,56-,57+,58-,59+,60-,61+,62-,63+,64-,65+,66-,67+,68+,69-,70+/m1/s1 |
| InChIKey | JVHOSIVABBQEDM-RXUIUHQMSA-N |
| Mol Weight | 1595.6 g/mol |
| Molecular Formula | C70H114O40 |
| Exact Mass | 1594.688638 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fp9BpQeWLB3 |
|---|---|
| Name | JVHOSIVABBQEDM-RXUIUHQMSA-N |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C70H114O40 |
| InChI | InChI=1S/C70H114O40/c1-7-16-32(19-14-9-8-10-15-20-33(101-65-54(91)48(85)43(80)35(22-71)102-65)21-38(75)94-25-34(74)31-17-12-11-13-18-31)100-68-60(49(86)41(78)28(4)98-68)110-70-62(51(88)45(82)37(24-73)104-70)109-67-56(93)59(57(30(6)99-67)105-63-52(89)46(83)39(76)26(2)95-63)107-69-61(50(87)44(81)36(23-72)103-69)108-66-55(92)58(42(79)29(5)97-66)106-64-53(90)47(84)40(77)27(3)96-64/h11-13,17-18,26-30,32-33,35-37,39-73,76-93H,7-10,14-16,19-25H2,1-6H3/t26-,27-,28-,29+,30+,32+,33+,35+,36+,37-,39-,40-,41+,42+,43+,44+,45-,46+,47+,48-,49+,50-,51+,52-,53+,54+,55+,56-,57+,58-,59+,60-,61+,62-,63+,64-,65+,66-,67+,68+,69-,70+/m1/s1 |
| InChIKey | JVHOSIVABBQEDM-RXUIUHQMSA-N |
| Literature Reference Author | M.ONO,M.IMAO,K.MIYAHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,58,1232(2010) |
| Literature Reference DOI | 10.1248/cpb.58.1232 |
| Molecular Weight | 1595.651 g/mol |
| Source File Reference | UWBT3783 |