19-Hydroxybaccatin Iii

• Catalog Number: ACM78432787
• Product Name: 19-Hydroxybaccatin Iii
• CAS: 78432-78-7
• Category: Heterocyclic Organic Compound
• Synonyms: 19-hydroxybaccatin III
• Molecular Weight: 602.6
• Molecular Formula: C31H38O12
• Canonical SMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)CO)OC(=O)C
• InChI Key: SYDMVWLQJZBPIU-LSOODRMYSA-N
• Appearance: Powder

Custom Q&A

What is the PubChem CID for 19-Hydroxybaccatin III?

The PubChem CID for 19-Hydroxybaccatin III is 5318151.

What is the molecular formula of 19-Hydroxybaccatin III?

The molecular formula of 19-Hydroxybaccatin III is C31H38O12.

What is the molecular weight of 19-Hydroxybaccatin III?

The molecular weight of 19-Hydroxybaccatin III is 602.6 g/mol.

What is the IUPAC name of 19-Hydroxybaccatin III?

The IUPAC name of 19-Hydroxybaccatin III is [(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4,12-diacetyloxy-1,9,15-trihydroxy-10-(hydroxymethyl)-14,17,17-trimethyl-11-oxo-6-oxatetracyclo[11.3.1.0 3,10 .0 4,7 ]heptadec-13-en-2-yl] benzoate.

What is the InChI of 19-Hydroxybaccatin III?

The InChI of 19-Hydroxybaccatin III is InChI=1S/C31H38O12/c1-15-19(35)12-31(39)26(42-27(38)18-9-7-6-8-10-18)24-29(13-32,20(36)11-21-30(24,14-40-21)43-17(3)34)25(37)23(41-16(2)33)22(15)28(31,4)5/h6-10,19-21,23-24,26,32,35-36,39H,11-14H2,1-5H3/t19-,20-,21+,23+,24-,26-,29+,30-,31+/m0/s1.

What is the InChIKey of 19-Hydroxybaccatin III?

The InChIKey of 19-Hydroxybaccatin III is SYDMVWLQJZBPIU-VHLOTGQHSA-N.

What is the canonical SMILES of 19-Hydroxybaccatin III?

The canonical SMILES of 19-Hydroxybaccatin III is CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)CO)OC(=O)C.

What is the CAS number of 19-Hydroxybaccatin III?

The CAS number of 19-Hydroxybaccatin III is 78432-78-7.

What is the ChEMBL ID of 19-Hydroxybaccatin III?

The ChEMBL ID of 19-Hydroxybaccatin III is CHEMBL447792.

What is the hydrogen bond acceptor count of 19-Hydroxybaccatin III?

The hydrogen bond acceptor count of 19-Hydroxybaccatin III is 12.