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

1. Primary Information

English name: -
CAS No.: 9010-34-8
Molecular formula: -
Molecular weight: - g/mol
SMILES: -
Structural class:
Other identifiers:

Thyroglobulin

2. Suppliers & Pricing

Supplier Pack size Purity Price (CNY) Storage conditions Lead time Notes
Kehua Intelligence 50mg 90% 1040 -20℃ in stock -
Kehua Intelligence 100mg 90% 1600 -20℃ in stock -
Kehua Intelligence 500mg 90% 6400 -20℃ in stock -
Kehua Intelligence 1g 90% 12000 -20℃ in stock -

3. Structures

3.1 2D structure


3.2 3D structure

Coming soon

4. International Nomenclature & Identifiers

4.1 IUPAC Name

[2,8-dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-yl] 4-diethoxyphosphoryl-4-[ethoxy(methyl)phosphoryl]butanoate;[4-[[2,8-dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-yl]oxy]-4-oxo-1-phosphonobutyl]phosphonic acid;[4-oxo-1-phosphono-4-[[2,5,7-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-yl]oxy]butyl]phosphonic acid;[2,5,7-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-yl] 4-diethoxyphosphoryl-4-[ethoxy(methyl)phosphoryl]butanoate


4.2 InChI

InChI=1S/C39H64O8P2.C38H62O8P2.C32H50O9P2.C31H48O9P2/c1-12-43-48(11,41)37(49(42,44-13-2)45-14-3)24-23-36(40)46-38-32(8)28-35-34(33(38)9)25-27-39(10,47-35)26-17-22-31(7)21-16-20-30(6)19-15-18-29(4)5;1-11-42-47(10,40)36(48(41,43-12-2)44-13-3)23-22-35(39)45-34-27-32(8)37-33(28-34)24-26-38(9,46-37)25-16-21-31(7)20-15-19-30(6)18-14-17-29(4)5;1-22(2)11-8-12-23(3)13-9-14-24(4)15-10-19-32(7)20-18-27-26(6)31(25(5)21-28(27)41-32)40-29(33)16-17-30(42(34,35)36)43(37,38)39;1-22(2)10-7-11-23(3)12-8-13-24(4)14-9-18-31(6)19-17-26-21-27(20-25(5)30(26)40-31)39-28(32)15-16-29(41(33,34)35)42(36,37)38/h18,20,22,28,37H,12-17,19,21,23-27H2,1-11H3;17,19,21,27-28,36H,11-16,18,20,22-26H2,1-10H3;11,13,15,21,30H,8-10,12,14,16-20H2,1-7H3,(H2,34,35,36)(H2,37,38,39);10,12,14,20-21,29H,7-9,11,13,15-19H2,1-6H3,(H2,33,34,35)(H2,36,37,38)


4.3 InChIKey

ZMPYVOBRCGDZCZ-UHFFFAOYSA-N


4.4 Canonical SMILES

CCOP(=O)(C)C(CCC(=O)OC1=CC2=C(C(=C1)C)OC(CC2)(C)CCC=C(C)CCC=C(C)CCC=C(C)C)P(=O)(OCC)OCC.CCOP(=O)(C)C(CCC(=O)OC1=C(C2=C(C=C1C)OC(CC2)(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C)P(=O)(OCC)OCC.CC1=CC(=CC2=C1OC(CC2)(C)CCC=C(C)CCC=C(C)CCC=C(C)C)OC(=O)CCC(P(=O)(O)O)P(=O)(O)O.CC1=CC2=C(CCC(O2)(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C(=C1OC(=O)CCC(P(=O)(O)O)P(=O)(O)O)C


4.5 Isomeric SMILES

-

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

Coming soon

5.2 1H nuclear magnetic resonance (1H NMR)

Coming soon

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 --