Basic information
- CAS
16910-32-0- Standard SMILES
C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3)C(C)C- InChIKey
MMNYKQIDRZNIKT-VSADUBDNSA-N- Molecular formula
- C30H50O
- Average molar mass
- 426.7 g/mol
- Monoisotopic mass
- 426.38616621
Overview
Obtusifoliol has been reported in Euphorbia piscatoria, Graesiella emersonii, and other organisms with data available.
Names & identifiers
- Preferred name
- (+)-Obtusifoliol
- IUPAC
- (3S,4S,5S,10S,13R,14R,17R)-4,10,13,14-tetramethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
- English name
- obtusifoliol
- Molecular formula
- C30H50O
- Molecular weight
- 426.73
Names & synonyms
Obtusifoliol16910-32-0(+)-OBTUSIFOLIOL4alpha,14alpha-Dimethyl-5alpha-ergosta-8,24(28)-dien-3beta-ol3RH57E39ER(3S,4S,5S,10S,13R,14R,17R)-4,10,13,14-tetramethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-olDTXSID601686504alpha,14alpha-dimethyl-24-methylene-cholest-8-en-3beta-ol4alpha,14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-olErgosta-8,24(28)-dien-3-ol, 4,14-dimethyl-, (3beta,4alpha,5alpha)-CHEBI:17791(3S,4S,5S,10S,13R,14R,17R)-4,10,13,14-tetramethyl-17-((2R)-6-methyl-5-methylideneheptan-2-yl)-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta(a)phenanthren-3-ol
Show more names
24-Methylene-29-norlanosta-8-ene-3β-ol24-Methylene-29-nor-5α-lanost-8-en-3β-ol4α,14-Dimethyl-5α-ergosta-8,24(28)-dien-3β-ol4α,14α-Dimethyl-5α-ergosta-8,24(28)-dien-3β-ol4α,14α-Dimethyl-24-methylene-5α-cholesta-8-ene-3β-olErgosta-8,24(28)-dien-3-ol, 4,14-dimethyl-, (3β,4α,5α)-
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 746
Experimental & physicochemical properties
LipidsLipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Ergosterols and C24-methyl derivatives [ST0103]
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 134 · 134-135 °C(Solv: methanol (67-56-1))
- Boiling point
- 501.3 · 501.3±49.0 °C(Predicted)
- Density
- 0.98 · 0.98±0.1 g/cm3(Predicted)
- pka
- 15.14 · 15.14±0.70(Predicted)
- form
- Solid
- color
- White to off-white
- FDA UNII
- 3 RH57E39ER · 3RH57E39ER
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Applications
Uses(+)-Obtusifoliol is a component in vegetable oils.
Suppliers19 total
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
Shaanxi LonierHerb Bio Technology Co Ltd+86-86-+86-86-029-87551862 15002946897 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Aladdin Scientific[email protected]
United Life Science020-82099279 18988968278 · [email protected]
Aktin Chemicals, Inc.028-85159085 · [email protected]
上海喀露蓝科技有限公司18149758185 18149758185 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海陶术生物科技股份有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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