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Methyl oleanolate

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Methyl oleanolate

EINECS 217-029-1
CAS No. 1724-17-0 Density 1.07g/cm3
PSA 46.53000 LogP 7.32200
Solubility N/A Melting Point 200-205oC
Formula C31H50O3 Boiling Point 526.1oCat760mmHg
Molecular Weight 470.736 Flash Point 190.7oC
Transport Information N/A Appearance N/A
Safety 22-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1724-17-0 (Methyl oleanolate) Hazard Symbols N/A

Olean-12-en-28-oicacid, 3b-hydroxy-, methyl ester(6CI,7CI,8CI);Methyl 3b-hydroxyolean-12-en-28-oate;Methyl oleanolate;Oleanolic acid methylester;Virgaureagenin B methyl ester;

Article Data 137

Methyl oleanolate Specification

The Methyl oleanolate with the cas number 1724-17-0 is also called 3β-Hydroxyolean-12-en-28-oic acid methyl ester. The IUPAC name is methyl(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate. Its EINECS registry number is 217-029-1. This chemical belongs to the following product categories: (1)Pentacyclic triterpenes; (2)Tri-Terpenoids.

Properties Computed from Structure: (1)XLogP3-AA: 7.8; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 2; (5)Exact Mass: 470.375995; (6)MonoIsotopic Mass: 470.375995; (7)Topological Polar Surface Area: 46.5; (8)Heavy Atom Count: 34; (9)Formal Charge: 0; (10)Complexity 900; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 8; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 1.

When you are using this chemical, please be cautious about it as the following: (1)Irritating to eyes, respiratory system and skin; (2)Do not breathe dust; (3)Wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: C=12[C@@H]3CC(C)(C)CC[C@@]3(CC[C@@]2(C)[C@@]2([C@@H]([C@@]3(CC[C@@H](C([C@@H]3CC2)(C)C)O)C)CC1)C)C(=O)OC
(2)InChI: InChI=1/C31H50O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-24,32H,10-19H2,1-8H3/t21-,22-,23+,24-,28-,29+,30+,31-/m0/s1

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