veratramine

veratramine

CAS: 60-70-8

Formula: C27H39NO2

SMILES: [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC1=C2C=CC([C@H](C)[C@@H]2NC[C@@H](C)C[C@H]2O)=C1C

IUPAC: (2S,3R,5S)-2-[(1S)-1-[(3S,6aR,11aS,11bR)-3-hydroxy-10,11b-dimethyl-1H,2H,3H,4H,6H,6aH,11H,11aH,11bH-cyclohexa[a]fluoren-9-yl]ethyl]-5-methylpiperidin-3-ol

InChI: InChI=1S/C27H39NO2/c1-15-11-25(30)26(28-14-15)17(3)20-7-8-21-22-6-5-18-12-19(29)9-10-27(18,4)24(22)13-23(21)16(20)2/h5,7-8,15,17,19,22,24-26,28-30H,6,9-14H2,1-4H3/t15-,17-,19-,22+,24-,25+,26-,27+/m0/s1

Composition: C (79.17%), H (9.60%), N (3.42%), O (7.81%)

Molar Mass: 409.614

Atom Count: 69

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	8
Exact Mass	409.2980795
Formal Charge	0
FSP3	0.7
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	MALFODICFSIXPO-KFKQDBFTSA-N
Lipinski's Rule of Five	1
Molar Refractivity	124.09
Topological Polar Surface Area	52.49
Polarizability	48.32
Ring Count	5
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99.61%	<7 Days	60-70-8		$56.10-$561.00$56.10$78.54$314.16$561.00