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strictosamide

strictosamide

CAS: 23141-25-5

Formula: C26H30N2O8

SMILES: [H][C@@]12C[C@]3([H])N(CCC4=C3NC3=CC=CC=C43)C(=O)C1=CO[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]2C=C

IUPAC: (1S,18S,19R,20S)-19-ethenyl-18-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15-pentaen-14-one

InChI: InChI=1S/C26H30N2O8/c1-2-12-15-9-18-20-14(13-5-3-4-6-17(13)27-20)7-8-28(18)24(33)16(15)11-34-25(12)36-26-23(32)22(31)21(30)19(10-29)35-26/h2-6,11-12,15,18-19,21-23,25-27,29-32H,1,7-10H2/t12-,15+,18-,19+,21+,22-,23+,25-,26-/m0/s1

Composition: C (62.64%), H (6.07%), N (5.62%), O (25.67%)

Molar Mass: 498.532

Atom Count: 66

Heavy Atom Count: 36

Properties
Properties
Common Names strictosamide
Aromatic Ring Count 2
Asymmetric Atom Count 9
Exact Mass 498.200215934
Formal Charge 0
FSP3 0.5
Hetero Ring Count 5
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 5
InChIKey LBRPLJCNRZUXLS-IUNANRIWSA-N
Lipinski's Rule of Five 1
Molar Refractivity 126.85
Topological Polar Surface Area 144.71
Polarizability 51.09
Ring Count 6
Rotatable Bond Count 4

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98% <7 Days 23141-25-5 $132.77-$280.50$132.77$280.50
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