CAS Registry Number®
19121-58-5
CAS Name
Solasonine
Molecular Formula
C45H73NO16
Molecular Mass
884.06
Compound Properties
-
Melting Point (1)
284-285 °C (decomp)
Source(s)
- (1) Bell, R. Culford; Journal of the Chemical Society, (1942), 1-2, CAplus
Other Names and Identifiers
InChI
InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3
InChIKey
InChIKey=QCTMYNGDIBTNSK-UHFFFAOYSA-N
SMILES
CC12C3C(CC1C4C(CC2)C5(C)C(=CC4)CC(OC6C(OC7C(O)C(O)C(O)C(C)O7)C(OC8OC(CO)C(O)C(O)C8O)C(O)C(CO)O6)CC5)OC9(C3C)CCC(C)CN9
Canonical SMILES
OCC1OC(OC2C(O)C(OC(OC3CC4=CCC5C(CCC6(C)C5CC7OC8(NCC(C)CC8)C(C)C76)C4(C)CC3)C2OC9OC(C)C(O)C(O)C9O)CO)C(O)C(O)C1O
Other Names for this Substance
- β-D-Galactopyranoside, (3β,22α,25R)-spirosol-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-
- Solasonine
- Spirosolane, β-D-galactopyranoside deriv.
- (3β,22α,25R)-Spirosol-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-β-D-galactopyranoside
- Solasonin
- α-Solasonine
- NSC 82149
Deleted or Replaced CAS Registry Numbers
77-34-9, 1369-76-2, 28701-66-8
