| SpectraBase Compound ID | 5zCglB0qEtJ |
|---|---|
| InChI | InChI=1S/C62H108O25/c1-8-11-13-14-15-16-19-22-26-31-41(65)82-55-49(73)53(85-62-57(48(72)51(35(5)76-62)81-40(64)28-10-3)86-58-47(71)45(69)44(68)39(33-63)80-58)36(6)77-60(55)84-52-37(7)78-61-56(50(52)74)83-42(66)32-27-23-20-17-18-21-25-30-38(29-24-12-9-2)79-59-54(87-61)46(70)43(67)34(4)75-59/h34-39,43-63,67-74H,8-33H2,1-7H3/t34-,35-,36+,37+,38?,39-,43-,44-,45+,46+,47-,48+,49-,50-,51-,52+,53+,54-,55-,56-,57+,58+,59+,60+,61+,62-/m1/s1 |
| InChIKey | VYVWNWMQAZXCRE-LOXJDUBHSA-N |
| Mol Weight | 1253.5 g/mol |
| Molecular Formula | C62H108O25 |
| Exact Mass | 1252.717969 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I6OCpgJQbgI |
|---|---|
| Name | MURUCIN_3 |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H108O25 |
| InChI | InChI=1S/C62H108O25/c1-8-11-13-14-15-16-19-22-26-31-41(65)82-55-49(73)53(85-62-57(48(72)51(35(5)76-62)81-40(64)28-10-3)86-58-47(71)45(69)44(68)39(33-63)80-58)36(6)77-60(55)84-52-37(7)78-61-56(50(52)74)83-42(66)32-27-23-20-17-18-21-25-30-38(29-24-12-9-2)79-59-54(87-61)46(70)43(67)34(4)75-59/h34-39,43-63,67-74H,8-33H2,1-7H3/t34-,35-,36+,37+,38?,39-,43-,44-,45+,46+,47-,48+,49-,50-,51-,52+,53+,54-,55-,56-,57+,58+,59+,60+,61+,62-/m1/s1 |
| InChIKey | VYVWNWMQAZXCRE-LOXJDUBHSA-N |
| Literature Reference Author | I.LEON,R.G.ENRIQUEZ,D.A.NIETO,D.ALONSO,W.F.REYNOLDS,E.ARANDA ,J.VILLA |
| Literature Reference Citation | J.NAT.PROD.,68,1141(2005) |
| Literature Reference DOI | 10.1021/np050075m |
| Molecular Weight | 1253.525 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ12169 |