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

1. Primary Information

English name: CID 13987051
CAS No.: 1416549-04-6
Molecular formula: C33H44O9
Molecular weight: 584.7 g/mol
SMILES: CC=C(C)C(=O)OC1CC(C2(COC3C2C1(C4CC(OC5CC(C(=C5C4(C3O)C)C)C6=COC=C6)O)C)C)OC(=O)C
Structural class:
Other identifiers:

ribosome-inactivating protein type 2, Adenia volkensii

RIP protein, A volkensii Harms

volkensin

2. Suppliers & Pricing

Supplier Pack size Purity Price (CNY) Storage conditions Lead time Notes
Kehua Intelligence 5mg HPLC≥98% 2384 2-8℃ in stock -

3. Structures

3.1 2D structure


3.2 3D structure

Coming soon

4. International Nomenclature & Identifiers

4.1 IUPAC Name

[17-acetyloxy-8-(furan-3-yl)-4,12-dihydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-19-yl] (E)-2-methylbut-2-enoate


4.2 InChI

InChI=1S/C33H44O9/c1-8-16(2)30(37)42-24-13-23(40-18(4)34)31(5)15-39-27-28(31)32(24,6)22-12-25(35)41-21-11-20(19-9-10-38-14-19)17(3)26(21)33(22,7)29(27)36/h8-10,14,20-25,27-29,35-36H,11-13,15H2,1-7H3/b16-8+


4.3 InChIKey

KQNNSYZQMSOOQH-LZYBPNLTSA-N


4.4 Canonical SMILES

CC=C(C)C(=O)OC1CC(C2(COC3C2C1(C4CC(OC5CC(C(=C5C4(C3O)C)C)C6=COC=C6)O)C)C)OC(=O)C


4.5 Isomeric SMILES

C/C=C(\C)/C(=O)OC1CC(C2(COC3C2C1(C4CC(OC5CC(C(=C5C4(C3O)C)C)C6=COC=C6)O)C)C)OC(=O)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 --