CAS No.: 476-28-8 — Lycorine (石蒜碱)

1. Primary Information

English name:	Lycorine
CAS No.:	476-28-8
Molecular formula:	C₁₆H₁₇NO₄
Molecular weight:	287.31 g/mol
SMILES:	C1CN2CC3=CC4=C(C=C3C5C2C1=CC(C5O)O)OCO4
Structural class:
Other identifiers:	2,4,5,7,12b,12c-hexahydro-1H-(1,3)dioxolo- (4,5-j)pyrrolo(3,2,1-de)phenanthridine-1,2-diol lycorine lycorine hydrochloride, (1alpha,2beta)-isomer

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	20mg	HPLC≥98%	96	2-8℃	in stock	-
Kehua Intelligence	100mg	HPLC≥98%	318	2-8℃	in stock	-
Kehua Intelligence	1g	HPLC≥98%	1920	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 38 42 0 1 0 0 0 0 0999 V2000 -1.1415 -1.8541 -1.7114 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0499 -2.6628 1.2446 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0171 -1.5661 0.1543 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6367 0.7513 -0.0652 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3895 1.8640 0.3512 N 0 0 2 0 0 0 0 0 0 0 0 0 -1.6817 0.6057 -0.3304 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8569 -0.5173 0.2960 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1433 0.4391 -0.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3650 -1.8525 -0.3007 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5123 2.7328 -0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7429 1.8010 0.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6173 -0.1576 0.1533 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0605 2.3304 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8871 -2.0403 -0.0315 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9908 1.2246 0.0492 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7047 -0.7674 0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6148 -1.1427 0.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3450 1.5856 -0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9334 -0.7416 0.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2879 0.5808 0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0922 -0.6131 0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4882 0.6982 -1.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0430 -0.5558 1.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8062 -2.6942 0.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4033 3.1254 -1.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6153 3.5788 0.6689 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4580 2.0441 -0.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2291 1.8737 1.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2307 3.1529 0.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0604 2.7059 -1.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3262 -2.7057 -0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7686 -0.8487 0.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3747 -2.1936 0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6431 2.6241 -0.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4312 -2.7174 -2.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6209 -3.5345 1.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6758 -0.8540 -0.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7421 -0.7037 0.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 35 1 0 0 0 0 2 14 1 0 0 0 0 2 36 1 0 0 0 0 3 19 1 0 0 0 0 3 21 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 23 1 0 0 0 0 8 11 1 0 0 0 0 8 16 2 0 0 0 0 9 14 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 15 1 0 0 0 0 12 17 2 0 0 0 0 13 15 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 16 1 0 0 0 0 14 31 1 0 0 0 0 15 18 2 0 0 0 0 16 32 1 0 0 0 0 17 19 1 0 0 0 0 17 33 1 0 0 0 0 18 20 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(1S,17S,18S,19S)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraene-17,18-diol

4.2 InChI

InChI=1S/C16H17NO4/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19/h3-5,11,14-16,18-19H,1-2,6-7H2/t11-,14-,15+,16+/m0/s1

4.3 InChIKey

XGVJWXAYKUHDOO-DANNLKNASA-N

4.4 Canonical SMILES

C1CN2CC3=CC4=C(C=C3C5C2C1=CC(C5O)O)OCO4

4.5 Isomeric SMILES

C1CN2CC3=CC4=C(C=C3[C@H]5[C@H]2C1=C[C@@H]([C@H]5O)O)OCO4

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)