CAS No.: 24280-93-1 — Mycophenolic Acid (霉酚酸)

1. Primary Information

English name:	Mycophenolic Acid
CAS No.:	24280-93-1
Molecular formula:	C₁₇H₂₀O₆
Molecular weight:	320.3 g/mol
SMILES:	CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)O)O
Structural class:
Other identifiers:	Cellcept Mofetil Hydrochloride, Mycophenolate Mofetil, Mycophenolate mycophenolate mofetil mycophenolate mofetil hydrochloride

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	360	2-8℃	in stock	-
Kehua Intelligence	500mg	HPLC≥98%	1280	2-8℃	in stock	-
Kehua Intelligence	1g	超纯，98%	24	2-8℃	in stock	-
Kehua Intelligence	5g	超纯，98%	36	2-8℃	in stock	-
Kehua Intelligence	25g	超纯，98%	112	2-8℃	in stock	-
Kehua Intelligence	100g	超纯，98%	376	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 43 44 0 0 0 0 0 0 0999 V2000 3.4717 -2.4998 -0.1791 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1942 2.9361 -0.5120 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1139 -1.0962 1.7281 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7867 -3.2666 1.2037 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6212 -2.6460 -0.9037 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6038 -0.8967 -1.9344 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7502 -0.3500 -0.4308 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5367 0.9221 0.6083 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8624 -1.0188 0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5461 0.9803 -0.7475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 1.6219 -0.2182 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7421 -0.4139 0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6696 1.6365 1.1691 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8333 -1.2614 -0.8412 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3174 -2.3902 0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8679 1.5274 0.2668 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5040 1.7069 -1.6288 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0853 1.0319 0.5646 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2363 0.9298 -0.4099 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6493 -0.5201 -0.6676 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3680 0.5011 1.9465 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7631 3.9012 0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5148 -1.3353 -1.2459 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8579 1.2614 2.1793 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4620 2.7005 1.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8509 -1.4393 -1.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8134 -0.9439 -0.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7184 1.9047 -0.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2490 2.2317 -1.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0293 1.0264 -2.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9895 2.4343 -2.2656 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0930 1.4905 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9667 1.4060 -1.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9917 -0.9887 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4789 -0.5500 -1.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4336 0.6009 2.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1058 -0.5596 2.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8444 1.0498 2.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1961 -2.0115 1.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7402 3.5721 1.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 4.8268 0.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7964 4.1054 0.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8864 -3.1807 -1.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 11 1 0 0 0 0 2 22 1 0 0 0 0 3 12 1 0 0 0 0 3 39 1 0 0 0 0 4 15 2 0 0 0 0 5 23 1 0 0 0 0 5 43 1 0 0 0 0 6 23 2 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 7 14 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 12 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 13 16 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 16 18 2 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 23 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid

4.2 InChI

InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+

4.3 InChIKey

HPNSFSBZBAHARI-RUDMXATFSA-N

4.4 Canonical SMILES

CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)O)O

4.5 Isomeric SMILES

CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O)O

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)