10-Deacetylbaccatin III

Catalog Number	ACM32981865-2
CAS Number	32981-86-5
Structure
Synonyms	10-Deacetylbaccatin
IUPAC Name	[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-Acetyloxy-1,9,12,15-tetrahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Molecular Weight	544.59
Molecular Formula	C29H36O10
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)C)O
InChI	InChI=1S/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3/t17-,18-,19+,21+,22-,24-,27+,28-,29+/m0/s1
InChI Key	YWLXLRUDGLRYDR-ZHPRIASZSA-N
Melting Point	231-236 ℃
Purity	98%+(HPLC)
Solubility	Soluble in ethanol and dichloromethane.
Appearance	White powder
Storage	Store at 4 °C, sealed, away from light (valid for 2 years under this condition).
Complexity	1090
Exact Mass	544.23084734
Heavy Atom Count	39
Isomeric SMILES	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O
Monoisotopic Mass	544.23084734
Topological Polar Surface Area	160Ų

Custom Q&A

What is the product name of 10-Deacetylbaccatin III?

The product name of 10-Deacetylbaccatin III is 10-Deacetylbaccatin III.

What are the synonyms of 10-Deacetylbaccatin III?

The synonyms of 10-Deacetylbaccatin III include 10-Deacetyl Baccatin lll, Deacetylbaccatin III, 10-deacetylbaccatin III (extaxusbaccata), and more.

What is the molecular weight of 10-Deacetylbaccatin III?

The molecular weight of 10-Deacetylbaccatin III is 544.59.

What is the melting point of 10-Deacetylbaccatin III?

The melting point of 10-Deacetylbaccatin III is 231-236 °C.

What is the color of 10-Deacetylbaccatin III?

10-Deacetylbaccatin III is white in color.

What is the water solubility of 10-Deacetylbaccatin III?

10-Deacetylbaccatin III is insoluble in water.

What is the chemical property of 10-Deacetylbaccatin III?

10-Deacetylbaccatin III is a white solid.

What are the uses of 10-Deacetylbaccatin III?

10-Deacetylbaccatin III is used as an antineoplastic agent, an anti-cancer intermediate, and as an intermediate in the synthesis of Taxol and its derivatives.

What is the biological activity of 10-Deacetylbaccatin III?

10-Deacetylbaccatin III is an intermediate used for the preparation of Taxol, an anti-leukemic and tumor-inhibiting agent isolated from the pacific yew tree.

What are the hazard codes and safety statements associated with 10-Deacetylbaccatin III?

The hazard code for 10-Deacetylbaccatin III is T, and the safety statements include recommendations for handling and storage to ensure safety.

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