Basic information
- Name:
Olean-12-en-29-oicacid, 3-hydroxy-11-oxo-, (3b,18a,20b)-
- Superlist Name:
- 18alpha-Glycyrrhetinic acid
- CAS No.:
1449-05-4
- Molecular Structure:
- Formula:
- C30H46O4
- Molecular Weight:
- 470.76
- Synonyms:
- 18a-Olean-12-en-30-oic acid, 3b-hydroxy-11-oxo- (6CI,7CI,8CI);18-Isoglycyrrhetinic acid;18a-Glycyrrhetic acid;18a-Glycyrrhetinic acid;NSC 35350;STX 353;b-Glycyrrhetinic acid;
- EINECS:
- 215-907-9
- Density:
- 1.143 g/cm3
- Melting Point:
- 331-333°C
- Boiling Point:
- 588.337 °C at 760 mmHg
- Flash Point:
- 323.651 °C
- Hazard Symbols:
Xn- Risk Codes:
- 22
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*Required Fields
Chemistry
Molecular Formula: C30H46O4
Molar mass: 470.68 g/mol
EINECS: 215-907-9
Density: 1.14 g/cm3
Flash Point: 323.7 °C
Index of Refraction: 1.562
Boiling Point: 588.3 °C at 760 mmHg
Vapour Pressure: 2.71E-16 mmHg at 25 °C
Melting point: 331-333 °C
Product categories of 18alpha-Glycyrrhetinic acid (CAS NO.1449-05-4): Tri-Terpenoids
Structure of 18alpha-Glycyrrhetinic acid (CAS NO.1449-05-4):
XLogP3-AA: 6.4
H-Bond Donor: 2
H-Bond Acceptor: 4
IUPAC Name: 10-Hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
Canonical SMILES: CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C
InChI: InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)
InChIKey: MPDGHEJMBKOTSU-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | orl-mus LD50:560 mg/kg | CPBTAL Chemical and Pharmaceutical Bulletin. 28 (1980),3449. | ||
| 2. | ipr-mus LD50:455 mg/kg | CPBTAL Chemical and Pharmaceutical Bulletin. 28 (1980),3449. | ||
| 3. | ivn-mus LD50:100 mg/kg | CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#02068 . |
Safety Profile
Poison by intravenous route. Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes of 18alpha-Glycyrrhetinic acid (CAS NO.1449-05-4): 
Xn
Risk Statements:
R22:Harmful if swallowed.
Specification
18alpha-Glycyrrhetinic acid ,its cas register number is 1449-05-4. It also can be called beta-Glycyrrhetinic acid ; 18-alpha-Olean-12-en-30-oic acid, 3-beta-hydroxy-11-oxo- and (3beta,18alpha,20beta)-3-Hydroxy-11-oxoolean-12-en-29-oic acid .
