$750.00
| CAS No.: | 1152168-63-2 |
| Molecular Formula | C₄₈H₈₀O₁₉ |
| Molecular Weight | 961.1g/mol |
| Purity | HPLC>98% |
| Chemical Family | Triterpenoids |
| Weight |
|---|
IUPAC Name: (2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8S,8aS,12aS,14R,14aR,14bS)-8,14-dihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
InChI: InChI=1S/C48H80O19/c1-21-30(54)32(56)36(60)41(63-21)67-38-26(18-62-40-35(59)33(57)31(55)25(17-49)64-40)65-42(37(61)34(38)58)66-29-9-10-44(4)27(45(29,5)19-50)8-11-46(6)39(44)24(52)14-22-23-15-43(2,3)12-13-48(23,20-51)28(53)16-47(22,46)7/h14,21,23-42,49-61H,8-13,15-20H2,1-7H3/t21-,23-,24+,25+,26+,27+,28-,29-,30-,31+,32+,33-,34+,35+,36+,37+,38+,39+,40+,41-,42-,44-,45-,46+,47+,48+/m0/s1
InChIKey: GVRUOQWVLBNLJD-FDGSHWPISA-N
Canonical SMILES: CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3CCC4(C(C3(C)CO)CCC5(C4C(C=C6C5(CC(C7(C6CC(CC7)(C)C)CO)O)C)O)C)C)COC8C(C(C(C(O8)CO)O)O)O)O)O)O
Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@H]3CC[C@]4([C@H]([C@]3(C)CO)CC[C@@]5([C@@H]4[C@@H](C=C6[C@]5(C[C@@H]([C@@]7([C@H]6CC(CC7)(C)C)CO)O)C)O)C)C)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O
Synonyms: 11(; A)-Hydroxynepasaikosaponin k; 1152168-63-2; 11-alpha-hydroxyNepasaikosaponin K; HY-N11670; CS-0676356
Botanical Source:
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