Echinocandin B nucleus (A-30912 A nucleus) is the product of the decarboxylase-catalyzed reaction from Echinocandin B. It serves as an intermediate for semi-synthetic antifungal agents.

Physicochemical Properties

Molecular Formula	C34H51N7O15
Molecular Weight	797.81
Exact Mass	797.344
CAS #	79411-15-7
PubChem CID	12760595
Appearance	Typically exists as solid at room temperature
Density	1.6±0.1 g/cm3
Boiling Point	1330.8±65.0 °C at 760 mmHg
Flash Point	758.6±34.3 °C
Vapour Pressure	0.0±0.3 mmHg at 25°C
Index of Refraction	1.690
LogP	-10.63
Hydrogen Bond Donor Count	14
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	5
Heavy Atom Count	56
Complexity	1450
Defined Atom Stereocenter Count	0
InChi Key	BLKJKIJFNJAQIZ-UHFFFAOYSA-N
InChi Code	InChI=1S/C34H51N7O15/c1-12-10-41-24(25(12)47)32(54)39-30(52)20(46)9-18(35)28(50)36-21(13(2)42)33(55)40-11-17(45)8-19(40)29(51)38-23(31(53)37-22(14(3)43)34(41)56)27(49)26(48)15-4-6-16(44)7-5-15/h4-7,12-14,17-27,30,42-49,52H,8-11,35H2,1-3H3,(H,36,50)(H,37,53)(H,38,51)(H,39,54)
Chemical Name	18-amino-6-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-26-methyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone
HS Tariff Code	2934.99.9001

Biological Activity

Solubility Data

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.2534 mL	6.2672 mL	12.5343 mL
	5 mM	0.2507 mL	1.2534 mL	2.5069 mL
	10 mM	0.1253 mL	0.6267 mL	1.2534 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.