Name: moronic acid
SKU: 6713-27-5

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Basic Information

Molecular Structure:
CAS No.:	6713-27-5
Name:	moronic acid
Article Data:	3

Formula:	C₃₀H₄₆O₃
Molecular Weight:	454.693
Synonyms:	(+)-Moronicacid;3-Oxoolean-18-en-28-oic acid;Ambronic acid;Moronic acid;
Density:	1.09 g/cm³
Melting Point:	212 °C(dec.)
Boiling Point:	550 °C at 760 mmHg
Flash Point:	300.5 °C
PSA:	54.37000
LogP:	7.44180

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Specification

The Moronic acid, also known as 3-oxoolean-18-en-28-oic acid, is an organic compound with the formula C₃₀H₄₆O₃. It belongs to the product category of Pentacyclic Triterpenes. With the CAS registry number 6713-27-5, its IUPAC name is (4aS,6aR,6aR,6bR,8aR,12aR,14aS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-4,5,6,6a,7,8,8a,11,12,13,14,14a-dodecahydro-3H-picene-4a-carboxylic acid.

Physical properties of Moronic acid: (1)ACD/LogP: 8.53; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.56; (4)ACD/LogD (pH 7.4): 5.76; (5)ACD/BCF (pH 5.5): 193541.73; (6)ACD/BCF (pH 7.4): 3041.19; (7)ACD/KOC (pH 5.5): 112707.88; (8)ACD/KOC (pH 7.4): 1771.02; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.551; (13)Molar Refractivity: 132.17 cm³; (14)Molar Volume: 413.8 cm³; (15)Surface Tension: 44.2 dyne/cm; (16)Density: 1.09 g/cm³; (17)Flash Point: 300.5 °C; (18)Enthalpy of Vaporization: 90.75 kJ/mol; (19)Boiling Point: 550 °C at 760 mmHg; (20)Vapour Pressure: 1.51E-13 mmHg at 25°C.

Moronic acid can be extracted from Rhus javanica, a sumac plant traditionally believed to hold medicinal applications. The molecule has also been extracted from Mistletoe (Phoradendron reichenbachianum).

Uses of Moronic acid: it can be used to produce 3b-hydroxy-olean-18-en-28-oic acid at temperature of 20 °C. This reaction will need reagent NaBH4 and solvent tetrahydrofuran with reaction time of 4 hours. The yield is about 94.9%.

Moronic acid can be used to produce 3b-hydroxy-olean-18-en-28-oic acid

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2C([C@@H]1CC[C@@]4([C@@H]([C@@]1(C)CC2)CC[C@@H]5/C3=C/C(C)(C)CC[C@]3(C(=O)O)CC[C@@]45C)C)(C)C
(2)InChI: InChI=1/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h18-19,21-22H,8-17H2,1-7H3,(H,32,33)/t19-,21+,22-,27+,28-,29-,30+/m1/s1
(3)InChIKey: UMYJVVZWBKIXQQ-QALSDZMNBW