| SpectraBase Compound ID | 7T0PzBTeU7G |
|---|---|
| InChI | InChI=1S/C64H102O33/c1-8-26(69)29-15-23(2)64(97-29)14-13-62(6)36-25(9-12-63(62,64)7)60(4)11-10-35(61(5,22-68)34(60)16-27(36)70)92-55-47(82)45(80)40(75)33(91-55)21-86-58-52(38(73)28(71)20-85-58)95-59-53(96-54-46(81)43(78)37(72)24(3)87-54)51(42(77)32(19-67)90-59)94-57-49(84)50(41(76)31(18-66)89-57)93-56-48(83)44(79)39(74)30(17-65)88-56/h23-24,28-35,37-59,65-68,71-84H,8-22H2,1-7H3/t23-,24+,28+,29+,30-,31-,32-,33-,34-,35+,37+,38+,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+/m1/s1 |
| InChIKey | LVTKYAFKMFTRRI-MWXYMTCISA-N |
| Mol Weight | 1399.5 g/mol |
| Molecular Formula | C64H102O33 |
| Exact Mass | 1398.630336 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I1AYtGFdzVg |
|---|---|
| Name | #1;(23S)-17-ALPHA,23-EPOXY-3-BETA,29-DIHYDROXY-27-NOR-LANOST-8-ENE-7,24-DIONE-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[(O-BETA-D-GALACTOPYRANOSYL-(1->3)-O-BETA-D-GL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H102O33 |
| InChI | InChI=1S/C64H102O33/c1-8-26(69)29-15-23(2)64(97-29)14-13-62(6)36-25(9-12-63(62,64)7)60(4)11-10-35(61(5,22-68)34(60)16-27(36)70)92-55-47(82)45(80)40(75)33(91-55)21-86-58-52(38(73)28(71)20-85-58)95-59-53(96-54-46(81)43(78)37(72)24(3)87-54)51(42(77)32(19-67)90-59)94-57-49(84)50(41(76)31(18-66)89-57)93-56-48(83)44(79)39(74)30(17-65)88-56/h23-24,28-35,37-59,65-68,71-84H,8-22H2,1-7H3/t23-,24+,28+,29+,30-,31-,32-,33-,34-,35+,37+,38+,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+/m1/s1 |
| InChIKey | LVTKYAFKMFTRRI-MWXYMTCISA-N |
| Literature Reference Author | M.ONO,Y.TAKATSU,T.OCHIAI,S.YASUDA,Y.NISHIDA,T.TANAKA,M.OKAWA ,J.KINJO |
| Literature Reference Citation | CHEM.PHARM.BULL.,60,1314(2012) |
| Literature Reference DOI | 10.1248/cpb.c12-00457 |
| Molecular Weight | 1399.494 g/mol |
| Source File Reference | UWBT4601 |