Kehua AI (Shenzhen) Innovative Drug R&D Co., Ltd.    Healthy Roots Biotechnology (Shenzhen) Co., Limited    Joint Development

1. Primary Information

English name: N-octanoylsphingosine
CAS No.: 74713-59-0
Molecular formula: C26H51NO3
Molecular weight: 425.7 g/mol
SMILES: CCCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCC)O
Structural class:
Other identifiers:

2,3-N-octanoyl-D-erythro-trans-sphingosine

2,3-N-octanoylsphingosine

C8-ceramide

2. Suppliers & Pricing

Supplier Pack size Purity Price (CNY) Storage conditions Lead time Notes
Kehua Intelligence 5mg ≥98% 1704 -20℃ in stock -
Kehua Intelligence 5mg >99% 1600 -20℃ in stock -
Kehua Intelligence 25mg >99% 6000 -20℃ in stock -

3. Structures

3.1 2D structure


3.2 3D structure

Coming soon

4. International Nomenclature & Identifiers

4.1 IUPAC Name

N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]octanamide


4.2 InChI

InChI=1S/C26H51NO3/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-25(29)24(23-28)27-26(30)22-20-17-8-6-4-2/h19,21,24-25,28-29H,3-18,20,22-23H2,1-2H3,(H,27,30)/b21-19+/t24-,25+/m0/s1


4.3 InChIKey

APDLCSPGWPLYEQ-WRBRXSDHSA-N


4.4 Canonical SMILES

CCCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCC)O


4.5 Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCC)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
-- No 3D model data available --