Text Search
Structure Search

(2S,3R,4R,5S,6R)-2,3-dihydroxy-10,12-dimethoxy-6-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-7-oxatricyclo[6.4.0.0²,?]dodeca-1(8),9,11-triene-4-carboxamide

(2S,3R,4R,5S,6R)-2,3-dihydroxy-10,12-dimethoxy-6-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-7-oxatricyclo[6.4.0.0²,?]dodeca-1(8),9,11-triene-4-carboxamide

CAS: 84573-16-0

Formula: C29H31NO7

SMILES: COC1=CC=C(C=C1)[C@@]12OC3=C(C(OC)=CC(OC)=C3)[C@]1(O)[C@H](O)[C@@H]([C@H]2C1=CC=CC=C1)C(=O)N(C)C

IUPAC: (2S,3R,4R,5S,6R)-2,3-dihydroxy-10,12-dimethoxy-6-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-7-oxatricyclo[6.4.0.0²,?]dodeca-1(8),9,11-triene-4-carboxamide

InChI: InChI=1S/C29H31NO7/c1-30(2)27(32)23-24(17-9-7-6-8-10-17)29(18-11-13-19(34-3)14-12-18)28(33,26(23)31)25-21(36-5)15-20(35-4)16-22(25)37-29/h6-16,23-24,26,31,33H,1-5H3/t23-,24-,26-,28+,29+/m1/s1

Composition: C (68.90%), H (6.18%), N (2.77%), O (22.15%)

Molar Mass: 505.567

Atom Count: 68

Heavy Atom Count: 37

Properties
Properties
Common Names rocaglamide
Aromatic Ring Count 3
Asymmetric Atom Count 5
Exact Mass 505.210052342
Formal Charge 0
FSP3 0.34
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 2
InChIKey DAPAQENNNINUPW-IDAMAFBJSA-N
Lipinski's Rule of Five
Molar Refractivity 136.26
Topological Polar Surface Area 97.69
Polarizability 53.47
Ring Count 5
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Wuhan ChemFaces Biochemical Co., Ltd
Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 84573-16-0 $498.12$498.12
Request Quote
Selleck Chemicals
Purity LeadTime CAS UnitPrice
98% <10 Days 84573-16-0 Quote Only
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 84573-16-0 $313.99-$820.91$313.99$820.91
Request Quote