$165.00
| CAS No.: | 1793003-47-0 |
| Molecular Formula | C₄₈H₈₂O₁₈ |
| Molecular Weight | 947.2g/mol |
| Purity | HPLC>98% |
| Chemical Family | Triterpenoids |
| Weight |
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IUPAC Name: (2R,3R,4S,5S,6R)-2-[[17-[5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-6-methylheptan-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
InChI: InChI=1S/C48H82O18/c1-22(9-13-31(45(4,5)60)65-43-40(37(57)34(54)28(21-51)63-43)66-42-39(59)36(56)33(53)27(20-50)62-42)23-15-16-48(8)29-12-10-24-25(46(29,6)17-18-47(23,48)7)11-14-30(44(24,2)3)64-41-38(58)35(55)32(52)26(19-49)61-41/h10,22-23,25-43,49-60H,9,11-21H2,1-8H3/t22?,23?,25?,26-,27-,28-,29?,30?,31?,32-,33-,34-,35+,36+,37+,38-,39-,40-,41+,42+,43+,46?,47?,48?/m1/s1
InChIKey: VBXCGAFICHYWFL-IFXIQZSYSA-N
Canonical SMILES: CC(CCC(C(C)(C)O)OC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)CO)O)O)O)C3CCC4(C3(CCC5(C4CC=C6C5CCC(C6(C)C)OC7C(C(C(C(O7)CO)O)O)O)C)C)C
Isomeric SMILES: CC(CCC(C(C)(C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C3CCC4(C3(CCC5(C4CC=C6C5CCC(C6(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)C
Synonyms: 1793003-47-0; (2R,3R,4S,5S,6R)-2-[[17-[5-[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-6-methylheptan-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol; CID 137918167
Botanical Source:
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