≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Dehydrotumulosic acid is one of the effective constituents of Poria cocos. Poria cocos , a popular Chinese medicinal herb of fungal origin, has been included in many combinations with other CM herbs for its traditionally claimed activities of inducing diuresis, excreting dampness, invigorating the spleen and tranquilizing the mind and its modern pharmacological use of modulating the immune system of the body.
Form:Solid
| Canonical Smiles | CC(C)C(=C)CCC(C1C(CC2(C1(CC=C3C2=CCC4C3(CCC(C4(C)C)O)C)C)C)O)C(=O)O |
|---|---|
| IUPAC Name | (2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3,16-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid |
| InChIKey | LADJWZMBZBVBSB-YEXRKOARSA-N |
| INCHI | 1S/C31H48O4/c1-18(2)19(3)9-10-20(27(34)35)26-23(32)17-31(8)22-11-12-24-28(4,5)25(33)14-15-29(24,6)21(22)13-16-30(26,31)7/h11,13,18,20,23-26,32-33H,3,9-10,12,14-17H2,1-2,4-8H3,(H,34,35)/t20-,23-,24+,25+,26+,29-,30-,31+/m1/s1 |
| Isomeric SMILES | CC(C)C(=C)CC[C@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)O)C(=O)O |
| PubChem CID | 15225964 |
| MeSH Entry Terms | dehydrotumulosic acid;dehydrotumulosic acid, (3alpha,16alpha)-isomer |
| Molecular Weight | 484.71 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Steroids and steroid derivatives |
| Subclass | Bile acids, alcohols and derivatives |
| Intermediate Tree Nodes | Hydroxy bile acids, alcohols and derivatives |
| Direct Parent | Dihydroxy bile acids, alcohols and derivatives |
| Alternative Parents | Triterpenoids Ergosterols and derivatives Steroid acids 14-alpha-methylsteroids 16-alpha-hydroxysteroids 3-beta-hydroxysteroids 3-hydroxy delta-7-steroids Delta-7-steroids Medium-chain fatty acids Hydroxy fatty acids Unsaturated fatty acids Secondary alcohols Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Substituents | Triterpenoid - Ergosterol-skeleton - Ergostane-skeleton - Dihydroxy bile acid, alcohol, or derivatives - Steroid acid - Hydroxysteroid - 3-hydroxy-delta-7-steroid - 3-hydroxysteroid - 14-alpha-methylsteroid - 16-alpha-hydroxysteroid - 16-hydroxysteroid - 3-beta-hydroxysteroid - Delta-7-steroid - Medium-chain fatty acid - Hydroxy fatty acid - Unsaturated fatty acid - Fatty acyl - Fatty acid - Cyclic alcohol - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Alcohol - Organic oxide - Aliphatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as dihydroxy bile acids, alcohols and derivatives. These are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups. |
| External Descriptors | Not available |
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| Solubility | DMSO : 33.33 mg/mL (68.76 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 484.700 g/mol |
| XLogP3 | 6.400 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 484.355 Da |
| Monoisotopic Mass | 484.355 Da |
| Topological Polar Surface Area | 77.800 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 957.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
