$650.00
| CAS No.: | 2319668-87-4 |
| Molecular Formula | C₄₂H₆₈O₁₅ |
| Molecular Weight | 813g/mol |
| Purity | HPLC>98% |
| Chemical Family | Triterpenoids |
| Weight |
|---|
IUPAC Name: (4aS,6R,6aS,6bR,8aR,9R,10S,12aS,13R,14bS)-10-[3,5-dihydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6,13-dihydroxy-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-3,4,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picen-5-one
InChI: InChI=1S/C42H68O15/c1-19-26(47)31(57-35-29(50)28(49)27(48)23(16-43)55-35)30(51)36(54-19)56-25-9-10-38(4)24(39(25,5)17-44)8-11-40(6)32(38)22(46)14-20-21-15-37(2,3)12-13-42(21,18-45)34(53)33(52)41(20,40)7/h14,19,21-33,35-36,43-52H,8-13,15-18H2,1-7H3/t19?,21-,22+,23?,24+,25-,26?,27?,28?,29?,30?,31?,32?,33-,35?,36?,38-,39-,40+,41-,42+/m0/s1
InChIKey: ONZYNENDGFEXPD-RREPNKOLSA-N
Canonical SMILES: CC1C(C(C(C(O1)OC2CCC3(C(C2(C)CO)CCC4(C3C(C=C5C4(C(C(=O)C6(C5CC(CC6)(C)C)CO)O)C)O)C)C)O)OC7C(C(C(C(O7)CO)O)O)O)O
Isomeric SMILES: CC1C(C(C(C(O1)O[C@H]2CC[C@]3([C@H]([C@]2(C)CO)CC[C@@]4(C3[C@@H](C=C5[C@]4([C@H](C(=O)[C@@]6([C@H]5CC(CC6)(C)C)CO)O)C)O)C)C)O)OC7C(C(C(C(O7)CO)O)O)O)O
Synonyms: TIBESAIKOSAPONIN V; 2319668-87-4; DA-68184; D84966
Botanical Source:
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