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(+) -Rocaglamide

CAT: 0931-TQ0131L-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TQ0131L-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1699754-37-4
Target
Others
Related Pathways
Others
Purity
0.9983
Bioactivity
(+) -Rocaglamide is a natural alkaloid, widely used in biochemical experiments and drug synthesis research.
Smiles
O[C@@]12[C@@]([C@H]([C@H](C(N(C)C)=O)[C@@H]1O)C3=CC=CC=C3)(OC=4C2=C(OC)C=C(OC)C4)C5=CC=C(OC)C=C5
Molecular Formula
C29H31NO7
Molecular Weight
505.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(+)-Rocaglamide
CAS Number1699754-37-4
PubChem CID100965393
IUPAC Name(1S,2S,3R,3aS,8bR)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide
Molecular FormulaC29H31NO7
Molecular Weight505.6
XLogP2.8
Topological Polar Surface Area97.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity810
SMILES
CN(C)C(=O)[C@H]1[C@@H]([C@@]2([C@]([C@H]1O)(C3=C(O2)C=C(C=C3OC)OC)O)C4=CC=C(C=C4)OC)C5=CC=CC=C5
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+/m0/s1
InChIKey
DAPAQENNNINUPW-LUQUYTNASA-N
Chemical Structure
2D Structure
2D structure of (+)-Rocaglamide
CAS: 1699754-37-4
CID: 100965393
Formula: C29H31NO7
MW: 505.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight505.6
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass505.21005233
Monoisotopic Mass505.21005233
Topological Polar Surface Area97.7 Ų
Heavy Atom Count37
Formal Charge0
Complexity810
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS6062694-01Rocaglamide (Rocaglamide A)
CS-BT-00549Rocaglamide
BUP22138-01(+) -Rocaglamide

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