CAS No.: 519-34-6 — Maclurin (桑橙素)

1. Primary Information

English name:	Maclurin
CAS No.:	519-34-6
Molecular formula:	C₁₃H₁₀O₆
Molecular weight:	262.21 g/mol
SMILES:	C1=CC(=C(C=C1C(=O)C2=C(C=C(C=C2O)O)O)O)O
Structural class:
Other identifiers:	maclura pomifera lectin maclurin

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5mg	HPLC≥95%	2400	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 29 30 0 0 0 0 0 0 0999 V2000 1.3331 0.5826 -2.4006 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3364 0.5946 2.3989 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1643 2.6141 -0.0057 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8302 -1.5826 0.0015 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6957 -2.6080 0.0039 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9913 -1.0417 0.0016 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3346 0.5890 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2445 0.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0659 1.3781 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8958 0.2367 -1.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8978 0.2427 1.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3489 -0.6439 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3969 1.5331 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0805 -0.4996 -1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0824 -0.4938 1.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6738 -0.8649 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6059 -1.2489 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6537 0.9283 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7582 -0.4627 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4741 -1.2878 0.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3428 2.6186 -0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5367 -0.7858 -2.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5515 -0.7826 2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5434 1.5524 -0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5362 1.1183 -2.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8872 0.2525 3.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0972 -1.7512 -0.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6375 -2.8525 0.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6688 -0.3440 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 25 1 0 0 0 0 2 11 1 0 0 0 0 2 26 1 0 0 0 0 3 9 2 0 0 0 0 4 16 1 0 0 0 0 4 27 1 0 0 0 0 5 17 1 0 0 0 0 5 28 1 0 0 0 0 6 19 1 0 0 0 0 6 29 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 12 17 1 0 0 0 0 12 20 1 0 0 0 0 13 18 2 0 0 0 0 13 21 1 0 0 0 0 14 16 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 17 19 2 0 0 0 0 18 19 1 0 0 0 0 18 24 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(3,4-dihydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone

4.2 InChI

InChI=1S/C13H10O6/c14-7-4-10(17)12(11(18)5-7)13(19)6-1-2-8(15)9(16)3-6/h1-5,14-18H

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)