CID 73116248
Furostan-12-one, 3-[(o-6-deoxy-alpha-l-mannopyranosyl-(1-->4)-o-6-deoxy-alpha-l-mannopyranosyl-(1-->3)-o-[beta-d-xylopyranosyl-(1-->2)]-o-beta-d-glucopyranosyl-(1-->4)-o-beta-d-glucopyranosyl-(1-->4)-beta-d-galactopyranosyl)oxy]-26-(beta-d-glucopyranosyloxy)-22-hydroxy-, (3beta,5alpha,22alpha,25r)-
Structural Information
- Molecular Formula
- C68H112O37
- SMILES
- CC1C2C(CC3C2(C(=O)CC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(C(O9)C)OC2C(C(C(C(O2)C)O)O)O)O)O)OC2C(C(C(CO2)O)O)O)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O
- InChI
- InChI=1S/C68H112O37/c1-22(20-91-59-49(85)44(80)41(77)33(16-69)96-59)9-12-68(90)23(2)38-32(105-68)14-30-28-8-7-26-13-27(10-11-66(26,5)29(28)15-37(74)67(30,38)6)95-63-52(88)46(82)55(35(18-71)98-63)101-64-53(89)47(83)56(36(19-72)99-64)102-65-58(104-60-48(84)40(76)31(73)21-92-60)57(42(78)34(17-70)97-65)103-62-51(87)45(81)54(25(4)94-62)100-61-50(86)43(79)39(75)24(3)93-61/h22-36,38-65,69-73,75-90H,7-21H2,1-6H3
- InChIKey
- IMDVEXVWVKJLBU-UHFFFAOYSA-N
- Compound name
- 16-[5-[5-[4-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-6-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-10-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
| Adduct | m/z | Predicted CCS (Ų) |
|---|---|---|
| [M+H]+ | 1521.6955 | 365.5 |
| [M+Na]+ | 1543.6774 | 371.0 |
| [M-H]- | 1519.6809 | 368.8 |
| [M+NH4]+ | 1538.7220 | 369.0 |
| [M+K]+ | 1559.6514 | 371.8 |
| [M+H-H2O]+ | 1503.6855 | 375.1 |
| [M+HCOO]- | 1565.6864 | 367.7 |
| [M+CH3COO]- | 1579.7021 | 367.9 |
| [M+Na-2H]- | 1541.6629 | 394.2 |
| [M]+ | 1520.6877 | 367.5 |
| [M]- | 1520.6887 | 367.5 |
Literature stripe
Patent stripe
No patent data available for this compound.