$120.00
| CAS No.: | 1807732-38-2 |
| Molecular Formula | C₅₃H₈₂O₂₄ |
| Molecular Weight | 1103.2g/mol |
| Purity | HPLC>98% |
| Chemical Family | Triterpenoids |
| Weight |
|---|
IUPAC Name: (2R,3R,4R,5S,6S)-6-[[(2R,3S,4R,4aS,6aS,6bR,8aR,12aR,14aS,14bS)-4-carboxy-8a-[(2R,3S,4R,5S,6S)-3-[(2R,3S,4R,5S,6R)-3,4-dihydroxy-6-methyl-5-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxycarbonyl-2-hydroxy-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]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI: InChI=1S/C53H82O24/c1-20-28(56)31(59)39(75-43-36(64)33(61)37(21(2)72-43)73-42-34(62)29(57)25(55)19-70-42)45(71-20)77-47(69)53-15-13-48(3,4)17-23(53)22-9-10-26-49(5)18-24(54)40(76-44-35(63)30(58)32(60)38(74-44)41(65)66)52(8,46(67)68)27(49)11-12-51(26,7)50(22,6)14-16-53/h9,20-21,23-40,42-45,54-64H,10-19H2,1-8H3,(H,65,66)(H,67,68)/t20-,21+,23+,24+,25-,26-,27-,28+,29+,30+,31+,32+,33+,34-,35-,36-,37+,38+,39-,40+,42+,43+,44+,45+,49-,50-,51-,52+,53+/m0/s1
InChIKey: ZGJXPMROEKLPPN-BCJPSNQRSA-N
Canonical SMILES: CC1C(C(C(C(O1)OC(=O)C23CCC(CC2C4=CCC5C(C4(CC3)C)(CCC6C5(CC(C(C6(C)C(=O)O)OC7C(C(C(C(O7)C(=O)O)O)O)O)O)C)C)(C)C)OC8C(C(C(C(O8)C)OC9C(C(C(CO9)O)O)O)O)O)O)O
Isomeric SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OC(=O)[C@]23CC[C@]4(C(=CC[C@@H]5[C@@]4(CC[C@H]6[C@]5(C[C@H]([C@H]([C@]6(C)C(=O)O)O[C@@H]7[C@H]([C@@H]([C@H]([C@@H](O7)C(=O)O)O)O)O)O)C)C)[C@H]2CC(CC3)(C)C)C)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)C)O[C@@H]9[C@H]([C@@H]([C@H](CO9)O)O)O)O)O)O)O
Synonyms: Celosin I; 1807732-38-2; (2R,3R,4R,5S,6S)-6-[[(2R,3S,4R,4aS,6aS,6bR,8aR,12aR,14aS,14bS)-4-carboxy-8a-[(2R,3S,4R,5S,6S)-3-[(2R,3S,4R,5S,6R)-3,4-dihydroxy-6-methyl-5-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxycarbonyl-2-hydroxy-4,6a; DA-62203; E80699
Botanical Source:
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