Description
IUPAC Name: 10-[5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyloxan-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-carboxylic acid
InChI: InChI=1S/C47H74O18/c1-42(2)14-16-47(41(58)59)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-34(56)31(53)35(63-38-32(54)29(51)24(20-49)60-38)36(64-40)37(57)65-39-33(55)30(52)28(50)23(19-48)61-39/h8,22-36,38-40,48-56H,9-20H2,1-7H3,(H,58,59)
InChIKey: CGEOMQZMNZQKNQ-UHFFFAOYSA-N
Canonical SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(O8)CO)O)O)O)O)C)C)C2C1)C)C(=O)O)C
Isomeric SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(O8)CO)O)O)O)O)C)C)C2C1)C)C(=O)O)C
Synonyms: Chikusetsu saponin Ib; 59252-87-8; Chikusetsusaponin Ib; BCP20865; AKOS040760832; TS-10132; Chikusetsu saponin Ib;17-Carboxy-28-norolean-12-en-3(c)micro-yl 4-O-(c) paragraph sign-L-arabinofuranosyl-(c)micro-D-glucopyranosiduronic acid 6-((c)micro-D-glucopyranosyl) ester
Botanical Source: