3-oxolup-20(29)-en-28-oic acid (CAS 4481-62-3) — formula C30H46O3, molecular weight 454.7; category organic chemicals.
3-oxolup-20(29)-en-28-oic acid is a carbon-based organic compound with CAS registry number 4481-62-3 and molecular formula C30H46O3 (molecular weight 454.7), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4481-62-3
Its molecular formula C30H46O3 comprises 30 C, 46 H, 3 O atoms.
Also known as: 3-oxolup-20(29)-en-28-oic acid · betulonic acid
Category: organic chemicals
The CAS registry number of 3-oxolup-20(29)-en-28-oic acid is 4481-62-3.
Molecular formula C30H46O3, molecular weight 454.7.
It is also registered under: 3-oxolup-20(29)-en-28-oic acid, betulonic acid.
Category: Organic Chemicals.
Public-database records for 3-oxolup-20(29)-en-28-oic acid (CAS 4481-62-3), reproduced here for independent cross-checking.
| CAS Registry Number | 4481-62-3 |
|---|---|
| PubChem CID | 122844 |
| 分子式 | C30H46O3 |
| IUPAC 名称 | (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid |
| UNII（FDA） | 7C1UV6ITF5 |
Betulonic acid; 4481-62-3; (+)-Betulonic Acid; Lup-20(29)-en-28-oic acid, 3-oxo-; 7C1UV6ITF5; MJ-347-RS; NSC-152534; RefChem:29863; Betulonicacid; Liquidambaric acid; 3-Oxolup-20(29)-en-28-oic acid; Betunolic Acid; MFCD08459607; CHEMBL431525; 3-Oxo-lup-20(29)-en-28-oic acid; 3-Oxobetulinic acid; Liquidambaric acid?
| 分子量 | 454.7 |
|---|---|
| XLogP3 | 7.9 |
| 氢键供体数 | 1 |
| 氢键受体数 | 3 |
| 可旋转键数 | 2 |
| 精确质量 | 454.34469533 |
| 单同位素质量 | 454.34469533 |
| 拓扑极性表面积 | 54.4 |
| 重原子数 | 33 |
| 形式电荷 | 0 |
3-oxolup-20(29)-en-28-oic acid · CAS 4481-62-3 · C30H46O3. UNII 7C1UV6ITF5.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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