CAS No.: 4707-32-8 — beta-Lapachone (β-Lapachone )

1. Primary Information

English name:	beta-Lapachone
CAS No.:	4707-32-8
Molecular formula:	C₁₅H₁₄O₃
Molecular weight:	242.27 g/mol
SMILES:	CC1(CCC2=C(O1)C3=CC=CC=C3C(=O)C2=O)C
Structural class:
Other identifiers:	3,4-dihydro-2,2-dimethyl-2H-naphtho(1,2-b)pyran-5,6-dione ARQ 501 ARQ-501 beta-lap-wj beta-lapachone

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	10mg	HPLC≥98%	400	RT	in stock	-
Kehua Intelligence	10mg	≥98%	392	RT	in stock	-
Kehua Intelligence	50mg	≥98%	1008	RT	in stock	-
Kehua Intelligence	250mg	≥98%	3840	RT	in stock	-
Kehua Intelligence	1g	≥98%	9600	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 32 34 0 0 0 0 0 0 0999 V2000 1.5323 -1.1790 0.1431 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2132 3.2692 -0.0241 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6817 2.3116 -0.1028 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8868 -0.7384 -0.0641 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1471 0.6126 0.6193 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1470 1.6703 0.1674 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 1.0963 0.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5294 -0.2283 0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7837 -1.8063 0.5763 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1706 -0.6983 -1.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8393 -0.7854 0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3616 2.0562 0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9571 0.0578 -0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7587 1.5148 -0.0409 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0673 -2.1721 0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2591 -0.4565 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3649 -2.6907 0.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4591 -1.8338 -0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1705 0.9606 0.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0411 0.4928 1.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4331 2.0678 -0.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1776 2.5064 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5982 -2.7911 0.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8455 -1.5665 0.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5665 -1.9074 1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -0.4001 -1.7775 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9986 -1.6824 -2.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5036 -0.0064 -2.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2417 -2.8781 0.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1239 0.1993 -0.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5184 -3.7658 0.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4663 -2.2385 -0.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 2 12 2 0 0 0 0 3 14 2 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 11 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 13 1 0 0 0 0 11 15 2 0 0 0 0 12 14 1 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 15 17 1 0 0 0 0 15 29 1 0 0 0 0 16 18 1 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2,2-dimethyl-3,4-dihydrobenzo[h]chromene-5,6-dione

4.2 InChI

InChI=1S/C15H14O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6H,7-8H2,1-2H3

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)

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)