Kehua AI (Shenzhen) Innovative Drug R&D Co., Ltd.    Northwest A&F University Shenzhen Research Institute    Joint Development

1. Primary Information

English name: Ubidecarenone
CAS No.: 303-98-0
Molecular formula: C59H90O4
Molecular weight: 863.3 g/mol
SMILES: CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
Structural class:
Other identifiers:

2,3-dimethoxy-5-methyl-6-decaprenylbenzoquinone

Bio-Quinone Q10

co-enzyme Q10

coenzyme Q10

coenzyme Q10, (Z,Z,Z,Z,Z,Z,E,E,E)-isomer

2. Suppliers & Pricing

Supplier Pack size Purity Price (CNY) Purchase Storage conditions Lead time Notes
Kehua Intelligence 20mg HPLC≥98% 50 Buy now -20℃ in stock -
Kehua Intelligence 100mg HPLC≥98% 144 Buy now -20℃ in stock -
Kehua Intelligence 500mg BR,99% 32 Buy now -20℃ in stock -
Kehua Intelligence 1g BR,99% 48 Buy now -20℃ in stock -
Kehua Intelligence 5g BR,99% 120 Buy now -20℃ in stock -
Kehua Intelligence 25g BR,99% 400 Buy now -20℃ in stock -

3. Structures

3.1 2D structure


3.2 3D structure

Coming soon

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione


4.2 InChI

InChI=1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+


4.3 InChIKey

ACTIUHUUMQJHFO-UPTCCGCDSA-N


4.4 Canonical SMILES

CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C


4.5 Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)OC)OC)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C

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
-- No 3D model data available --