Sawamilletin
Basic information
- CAS
14021-23-9- Standard SMILES
COC1CCC2(C)C3CCC4(C)C(=CCC5(C)CCC(C)(C)CC54)C3(C)CCC2C1(C)C- InChIKey
MJIBQQFDNJYZGY-UHFFFAOYSA-N- Molecular formula
- C31H52O
- Average molar mass
- 440.7 g/mol
- Monoisotopic mass
- 440.40181628
Overview
Sawamilletin has been reported in Saccharum spontaneum, Saccharum officinarum, and other organisms with data available.
Names & identifiers
- Preferred name
- Sawamilletin
- IUPAC
- 3-methoxy-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicene
Names & synonyms
SawamilletinCrusgallin14021-23-93-methoxy-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropiceneCusegallinTaraxerol methyl etherD-Friedoolean-14-ene, 3.beta.-methoxy-3-Methoxy-14-taraxereneSCHEMBL29759467MJIBQQFDNJYZGY-UHFFFAOYSA-N(3S,4Ar,6aR,6aS,8aR,12aR,14aR,14bR)-3-methoxy-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropiceneD-Friedoolean-14-ene, 3-methoxy-, (3.beta.)-
Show more names
3-Methoxy-4,4,6a,8a,11,11,12b,14b-octamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicene #
Database identifiers
- CAS
14021-23-9- PubChem CID
- 609451
Properties
Computed structural properties
- XLogP
- 9.8
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 805
Experimental & physicochemical properties
Melting Point278 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
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Related reactions
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Compound notes
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