Isocephalomannine
[CAS# 173101-54-7]

Identification

• Name: Isocephalomannine
• Synonyms: (alphaR,betaS)-beta-(Benzoylamino)-alpha-hydroxy-benzenepropanoic acid (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-12-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester
• Molecular Formula: C₄₅H₅₃NO₁₄
• Molecular Weight: 831.90
• CAS Registry Number: 173101-54-7
• EC Number: 692-826-9

Properties

• Solubility: Insoluble (1.9E^-3 g/L) (25 ºC), Calc.^*
• Density: 1.36±0.1 g/cm³ (20 ºC 760 Torr), Calc.^*
• Melting point: 232 ºC (decomp)^**

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (©1994-2013 ACD/Labs)

^** Gabetta, Bruno; Journal of Natural Products 1999, V62(2), P219-223.

Safety Data

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Acute toxicity	Acute Tox.	3	H301
Reproductive toxicity	Repr.	1B	H360FD
Specific target organ toxicity - repeated exposure	STOT RE	1	H372
Germ cell mutagenicity	Muta.	1B	H340
Carcinogenicity	Carc.	2	H351