Basic information
- CAS
5354-44-9- Standard SMILES
CC1(C)CCCC2(C)C1CCC13CC(CCC12)C(C)(O)C3- InChIKey
FZSRMADKTOBCNT-UHFFFAOYSA-N- Molecular formula
- C20H34O
- Average molar mass
- 290.5 g/mol
- Monoisotopic mass
- 290.2609657
Overview
Kauran-16-ol has been reported in Cryptomeria japonica var. sinensis and Helianthus argophyllus with data available.
Names & identifiers
- Preferred name
- Kauran-16-ol
- IUPAC
- 5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-ol
- English name
- [5α,8β,9α,10β,13β,16S,(+)]-Kaurane-16-ol
- Molecular formula
- C20H34O
- Molecular weight
- 290.48
Names & synonyms
Kauran-16-olCeruchinolKauran-16.alpha.-ol(-)-16.alpha.-Kauranol(-)-Kauran-16.alpha.-ol(-)-16.alpha.-HydroxykauraneDTXSID203475855524-17-45,5,9,14-tetramethyltetracyclo(11.2.1.01,10.04,9)hexadecan-14-ol5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-olKauran-16alpha-ol(-)-16alpha-Kauranol
Show more names
(+)-Kauranolent-KauranolKaurane-16-ol(-)-Kauran-16α-ol(16R)-Kaurane-16-ol[16R,(-)]-Kauran-16α-ol[5α,8β,9α,10β,13β,16S,(+)]-Kaurane-16-ol
RefChem:151020(-)-Kauran-16alpha-ol(-)-16alpha-HydroxykauraneDTXCID50298657FZSRMADKTOBCNT-UHFFFAOYSA-N(ent-16alpha)-16-KauranolNSC264878
Database identifiers
- CAS
5354-44-9、5524-17-4- PubChem CID
- 623309
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 455
Experimental & physicochemical properties
Melting Point210 - 211 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 214 · 214-215 °C
- Boiling point
- 378.609 · 378.609±11.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.025 · 1.025±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 15.288 · 15.288±0.60(predicted)
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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