$165.00
| CAS No.: | 288143-27-1 |
| Molecular Formula | C₄₄H₇₀O₁₈ |
| Molecular Weight | 887g/mol |
| Purity | HPLC>98% |
| Chemical Family | Steroids |
| Weight |
|---|
IUPAC Name: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-[(1R,2R,4S,5’R,6R,7S,8S,9S,12S,13R,16S)-2,8-dihydroxy-5′,7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2′-oxane]-16-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
InChI: InChI=1S/C44H70O18/c1-19-8-13-43(56-17-19)21(3)44(54)28(62-43)15-42(53)25-7-6-22-14-23(9-11-40(22,4)24(25)10-12-41(42,44)5)58-39-36(61-38-34(52)32(50)29(47)20(2)57-38)35(31(49)27(16-45)59-39)60-37-33(51)30(48)26(46)18-55-37/h6,19-21,23-39,45-54H,7-18H2,1-5H3/t19-,20+,21-,23+,24+,25-,26-,27-,28+,29+,30+,31-,32-,33-,34-,35+,36-,37+,38+,39-,40+,41+,42-,43-,44-/m1/s1
InChIKey: XEMVQWDHRXAQNR-YVEJFGEMSA-N
Canonical SMILES: CC1CCC2(C(C3(C(O2)CC4(C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)O)O)C)OC1
Isomeric SMILES: C[C@@H]1CC[C@@]2([C@H]([C@]3([C@@H](O2)C[C@@]4([C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)O)O)C)OC1
Synonyms: Cixiophiopogon A; 288143-27-1; (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-[(1R,2R,4S,5’R,6R,7S,8S,9S,12S,13R,16S)-2,8-dihydroxy-5′,7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2′-oxane]-16-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol; HY-N2175; AKOS037515158; DA-62356; MS-31649; CS-0019484; …
Botanical Source: Ophiopogonis Radix
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