Cycloartenol
precursor
Showing entry for Cycloartenol
Identification
- PhytoHub ID
- PHUB000474
- Name
- Cycloartenol
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 426.729
- Monoisotopic Mass
- 426.38616623
- Chemical Formula
- C30H50O
- IUPAC Name
- (1S,3R,6S,8R,12S,16R)-7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-ol
- InChI Key
- ONQRKEUAIJMULO-VFTSYHOTSA-N
- InChI Identifier
InChI=1S/C30H50O/c1-20(2)9-8-10-21(3)22-13-15-28(7)24-12-11-23-26(4,5)25(31)14-16-29(23)19-30(24,29)18-17-27(22,28)6/h9,21-25,31H,8,10-19H2,1-7H3/t21?,22?,23-,24?,25-,27+,28-,29+,30-/m0/s1
- SMILES
[H][C@@]12CCC3[C@@]4(C[C@]14CC[C@H](O)C2(C)C)CC[C@]1(C)C(CC[C@@]31C)C(C)CCC=C(C)C
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 3.56e-05 g/l
- LogS (ALOGPS)
- -7.08
- LogP (ALOGPS)
- 6.66
- Hydrogen Acceptors
- 1
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 4
- Polar Surface Area
- 20.23
- Refractivity
- 132.0332
- Polarizability
- 54.39191642853433
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -0.8351325136321267
- pKa (strongest acidic)
- 19.489408976606935
External Links
No external links
Taxonomy
- Family
- Terpenoids
- Class
- Phytosterols
- Sub-class
- Not Available
Spectra
No spectra information available
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Peanut | Nuts | Publications | Show | |
| Rice | Cereals and cereal products | Publications | Show |
Metabolism
No metabolism information available
Cycloartenol