Text Search
Structure Search

22-ethyl-7,11,14,15-tetrahydroxy-6'-(2-hydroxypropyl)-5',6,8,10,12,14,16,28,29-nonamethyl-2,26-dioxaspiro[bicyclo[23.3.1]nonacosane-27,2'-oxane]-4,18,20-triene-3,9,13-trione

22-ethyl-7,11,14,15-tetrahydroxy-6'-(2-hydroxypropyl)-5',6,8,10,12,14,16,28,29-nonamethyl-2,26-dioxaspiro[bicyclo[23.3.1]nonacosane-27,2'-oxane]-4,18,20-triene-3,9,13-trione

CAS: 1404-19-9

Formula: C45H74O11

SMILES: CCC1CCC2OC3(CCC(C)C(CC(C)O)O3)C(C)C(OC(=O)C=CC(C)C(O)C(C)C(=O)C(C)C(O)C(C)C(=O)C(C)(O)C(O)C(C)CC=CC=C1)C2C

IUPAC: 22-ethyl-7,11,14,15-tetrahydroxy-6'-(2-hydroxypropyl)-5',6,8,10,12,14,16,28,29-nonamethyl-2,26-dioxaspiro[bicyclo[23.3.1]nonacosane-27,2'-oxane]-4,18,20-triene-3,9,13-trione

InChI: InChI=1/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1

Composition: C (68.32%), H (9.43%), O (22.25%)

Molar Mass: 791.076

Atom Count: 130

Heavy Atom Count: 56

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 18
Exact Mass 790.523113203
Formal Charge 0
FSP3 0.8
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 10
Hydrogen Bond Donor Count 5
InChIKey MNULEGDCPYONBU-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 219.23
Topological Polar Surface Area 180.05
Polarizability 86.12
Ring Count 3
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
AA BLOCKS INC
Purity LeadTime CAS PacketSize UnitPrice
99% <6 Days 1404-19-9 $189.75-$569.25$189.75$270.25$569.25
Request Quote