Basic information
- CAS
1180-43-4- Standard SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)C(C)C)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
PUUPGXQPWDWTPH-GTPODGLVSA-N- Molecular formula
- C31H52O2
- Average molar mass
- 456.7 g/mol
- Monoisotopic mass
- 456.3967309
Names & identifiers
- Preferred name
- Cholesteryl isobutyrate
- IUPAC
- [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-methylpropanoate
- English name
- Cholesteryl iso-butyrate
- Molecular formula
- C31H52O2
- Molecular weight
- 456.74
Names & synonyms
1180-43-4CHOLESTERYL ISOBUTYRATECholest-5-en-3beta-yl isobutyrateRefChem:1081481214-651-5cholesterol isobutyrateCHOLESTERYL ISO-BUTYRATE[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-methylpropanoateEINECS 214-651-5SCHEMBL245454Cholest-5-en-3-ol (3.beta.)-, 2-methylpropanoateDTXSID40922590
Show more names
Cholesteryl-α-methylpropionate5-CHOLESTEN-3-BETA-OL ISO-BUTYRATECholest-5-en-3β-ol 2-methylpropionateCholest-5-en-3-ol (3β)-, 3-(2-methylpropanoate)(3S,8S,9S,10R,13R,14S,17R)-10,13-diMethyl-17-((R)-6-Methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl isobutyrate
PUUPGXQPWDWTPH-GTPODGLVSA-N5-Cholesten-3.beta.-ol isobutyrate5-Cholesten-3beta-ol 3-isobutyrateMFCD00021139Cholest-5-en-3-yl 2-methylpropanoateFC70230Cholest-5-en-3beta-yl 2-methylpropanoateNS00045504
Properties
Computed structural properties
- XLogP
- 10.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 735
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- storage temp.
- -20 °C · -20°C
Chemistry & industry
Suppliers8 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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