CUCURBITACIN D

Molecule structure of Elatericin A (CAS NO.3877-86-9) :

IUPAC Name: (2S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione 
Molecular Weight: 516.66616 g/mol
Molecular Formula: C₃₀H₄₄O₇ 
Density: 1.24 g/cm³ 
Boiling Point: 684 °C at 760 mmHg 
Flash Point: 381.4 °C
Index of Refraction: 1.582
Molar Refractivity: 138.8 cm³
Molar Volume: 415.6 cm³
Polarizability: 55.02*10^-24 cm³
Surface Tension: 55.8 dyne/cm
Enthalpy of Vaporization: 114.75 kJ/mol
Vapour Pressure: 1.16E-21 mmHg at 25 °C
XLogP3-AA: 2.1
H-Bond Donor: 4
H-Bond Acceptor: 7
Rotatable Bond Count: 4
Tautomer Count: 8
Exact Mass: 516.308704
MonoIsotopic Mass: 516.308704
Topological Polar Surface Area: 132
Heavy Atom Count: 37
Complexity: 1100
Defined Atom StereoCenter Count: 9
Defined Bond StereoCenter Count: 1
Covalently-Bonded Unit Count: 1
Canonical SMILES: CC1(C2=CCC3C4(CC(C(C4(CC(=O)C3(C2CC(C1=O)O)C)C)C(C)(C(=O)C=CC(C)(C)O)O)
O)C)C
Isomeric SMILES: C[C@@]12C[C@H]([C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O)C)C)[C@](C)(C(=O)/C=C/C(C)(C)O)O)O
InChIKey: SRPHMISUTWFFKJ-QJNWWGCFSA-N

Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits acrid smoke and fumes.
Hazard Codes: Xi

 Elatericin A (CAS NO.3877-86-9) is also called 308606 ; 521776 ; Cucurbitacin D ; Cucurbitacine (D) ; Elatericine A ; NSC 308606 ; NSC 521776 ; 19-Nor-9-beta,10-alpha-lanosta-5,23-diene-3,11,22-trione, 9-methyl-2-beta,16-alpha,20,25-tetrahydroxy- ; 19-Norlanosta-5,23-diene-3,11,22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (2beta,9beta,10alpha,16alpha,23E)- (9CI) .  Elatericin A (CAS NO.3877-86-9) is high toxic. It is flammable. It will emission pungent stimulate smoke by fire. So the storage environment should be ventilate, low-temperature and dry. Keep  Elatericin A (CAS NO.3877-86-9) separate from raw materials of food.