$120.00
| CAS No.: | 915792-03-9 |
| Molecular Formula | C₆₁H₉₈O₂₇ |
| Molecular Weight | 1263.4g/mol |
| Purity | HPLC>98% |
| Chemical Family | Triterpenoids |
| Weight |
|---|
* Warning: BIORLAB’s Natural Compounds are for laboratory research purposes only.
IUPAC Name: [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
InChI: InChI=1S/C61H98O27/c1-25-36(65)40(69)44(73)51(81-25)86-48-32(24-78-26(2)63)84-50(47(76)43(48)72)80-23-31-39(68)42(71)46(75)53(83-31)88-55(77)61-18-16-56(3,4)20-28(61)27-10-11-34-58(7)14-13-35(57(5,6)33(58)12-15-60(34,9)59(27,8)17-19-61)85-54-49(37(66)29(64)22-79-54)87-52-45(74)41(70)38(67)30(21-62)82-52/h10,25,28-54,62,64-76H,11-24H2,1-9H3/t25-,28-,29-,30+,31+,32+,33-,34+,35-,36-,37-,38+,39+,40+,41-,42-,43+,44+,45+,46+,47+,48+,49+,50+,51-,52-,53-,54-,58-,59+,60+,61-/m0/s1
InChIKey: NYFPVHPLEGGWHZ-DIUPZIBKSA-N
Canonical SMILES: CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(CC4C6=CCC7C8(CCC(C(C8CCC7(C6(CC5)C)C)(C)C)OC9C(C(C(CO9)O)O)OC1C(C(C(C(O1)CO)O)O)O)C)(C)C)O)O)O)COC(=O)C)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)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)[C@@]45CC[C@@]6(C(=CC[C@H]7[C@]6(CC[C@@H]8[C@@]7(CC[C@@H](C8(C)C)O[C@H]9[C@@H]([C@H]([C@H](CO9)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)[C@@H]4CC(CC5)(C)C)C)O)O)O)COC(=O)C)O)O)O
Synonyms: Acanthopanaxoside B; 915792-03-9; CHEMBL3952990; HY-N4135; AKOS037515011; DA-50114; MS-32079; CS-0032168
Botanical Source: Hedera helix
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