![#7;(23S)-17-ALPHA,23-EPOXY-29-HYDROXY-3-BETA-[(O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOP](/api/spectrum/5iTwJNyNrqj/structure.png?h=300&w=458 "#7;(23S)-17-ALPHA,23-EPOXY-29-HYDROXY-3-BETA-[(O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOP")
| SpectraBase Compound ID | UO646mB3PO |
|---|---|
| InChI | InChI=1S/C64H102O33/c1-8-27(69)29-15-23(2)64(97-29)16-35(71)63(7)26-9-10-34-60(4,25(26)11-14-62(63,64)6)13-12-36(61(34,5)22-68)92-55-48(83)45(80)41(76)33(91-55)21-86-57-51(38(73)28(70)20-85-57)95-59-53(96-54-47(82)43(78)37(72)24(3)87-54)50(42(77)32(19-67)90-59)93-58-52(46(81)40(75)31(18-66)89-58)94-56-49(84)44(79)39(74)30(17-65)88-56/h23-24,28-34,36-59,65-68,70,72-84H,8-22H2,1-7H3/t23-,24+,28+,29+,30+,31-,32-,33-,34-,36+,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 | FDRNGSFNNLJDMV-WCURNQDBSA-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 | 5iTwJNyNrqj |
|---|---|
| Name | #7;(23S)-17-ALPHA,23-EPOXY-29-HYDROXY-3-BETA-[(O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOP |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H102O33 |
| InChI | InChI=1S/C64H102O33/c1-8-27(69)29-15-23(2)64(97-29)16-35(71)63(7)26-9-10-34-60(4,25(26)11-14-62(63,64)6)13-12-36(61(34,5)22-68)92-55-48(83)45(80)41(76)33(91-55)21-86-57-51(38(73)28(70)20-85-57)95-59-53(96-54-47(82)43(78)37(72)24(3)87-54)50(42(77)32(19-67)90-59)93-58-52(46(81)40(75)31(18-66)89-58)94-56-49(84)44(79)39(74)30(17-65)88-56/h23-24,28-34,36-59,65-68,70,72-84H,8-22H2,1-7H3/t23-,24+,28+,29+,30+,31-,32-,33-,34-,36+,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 | FDRNGSFNNLJDMV-WCURNQDBSA-N |
| Literature Reference Author | K.ORI,M.KURODA,H.SAKAGAMI,Y.SASHIDA |
| Literature Reference Citation | CHEM.PHARM.BULL.,51,92(2003) |
| Literature Reference DOI | 10.1248/cpb.51.92 |
| Molecular Weight | 1399.494 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS21059 |