SpectraBase Compound ID | EH9kN0yF7HB |
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InChI | InChI=1S/C45H70O19/c1-18-6-11-45(57-17-18)19(2)29-25(64-45)12-23-21-7-10-44(56)14-26(24(48)13-43(44,5)22(21)8-9-42(23,29)4)59-41-38(63-39-35(54)33(52)30(49)20(3)58-39)37(32(51)28(16-47)61-41)62-40-36(55)34(53)31(50)27(15-46)60-40/h7-8,18-20,23-41,46-56H,6,9-17H2,1-5H3/t18-,19+,20-,23+,24-,25+,26-,27+,28+,29+,30-,31-,32+,33+,34-,35+,36+,37-,38+,39-,40-,41+,42+,43-,44-,45+/m1/s1 |
InChIKey | DWEFQZHNTHSOHD-DELBZEGXSA-N |
Mol Weight | 915.0 g/mol |
Molecular Formula | C45H70O19 |
Exact Mass | 914.45113 g/mol |
SpectraBase Spectrum ID | KYzRLOi9uaN |
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Name | #3;AGAPANTHUSSAPONIN-C;(25R)-5-ALPHA-SPIROSTA-7,9-DIENE-2-ALPHA,3-BETA,5-ALPHA-TRIOL-3-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-GALACTOPYRANOSYL-(1->3)]-B |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C45H70O19 |
InChI | InChI=1S/C45H70O19/c1-18-6-11-45(57-17-18)19(2)29-25(64-45)12-23-21-7-10-44(56)14-26(24(48)13-43(44,5)22(21)8-9-42(23,29)4)59-41-38(63-39-35(54)33(52)30(49)20(3)58-39)37(32(51)28(16-47)61-41)62-40-36(55)34(53)31(50)27(15-46)60-40/h7-8,18-20,23-41,46-56H,6,9-17H2,1-5H3/t18-,19+,20-,23+,24-,25+,26-,27+,28+,29+,30-,31-,32+,33+,34-,35+,36+,37-,38+,39-,40-,41+,42+,43-,44-,45+/m1/s1 |
InChIKey | DWEFQZHNTHSOHD-DELBZEGXSA-N |
Literature Reference Author | O.NAKAMURA,Y.MIMAKI,Y.SASHIDA,T.NIKAIDO,T.OHMOTO |
Literature Reference Citation | CHEM.PHARM.BULL.,41,1748(1993) |
Literature Reference DOI | 10.1248/cpb.41.1748 |
Molecular Weight | 915.039 g/mol |
Sample ID | 37681 |
Solvent | C5D5N |