Basic information
- CAS
511-33-1- Standard SMILES
C=C1CCC2C(C)(C)C(O)CCC2(C)C1COc1ccc2ccc(=O)oc2c1- InChIKey
FCWYNTDTQPCVPG-UHFFFAOYSA-N- Molecular formula
- C24H30O4
- Average molar mass
- 382.5 g/mol
- Monoisotopic mass
- 382.21440943
Overview
Farnesiferol A is a member of coumarins.
Names & identifiers
- Preferred name
- 7-[(6-hydroxy-5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl)methoxy]-2H-chromen-2-one
- IUPAC
- 7-[(6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one
- English name
- Farnesiferol A
- Molecular formula
- C24H30O4
- Molecular weight
- 382.49
Names & synonyms
ColladoninISOBADRAKEMINMogoltadin7-[(6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-oneSCHEMBL17085796CHEBI:139463100785-98-67-((6-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl)methoxy)-2H-chromen-2-oneAAA511337-[(6-hydroxy-5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl)methoxy]-2H-chromen-2-one7-[(6-hydroxy-5,5,8a-trimethyl-2-methylene-decalin-1-yl)methoxy]chromen-2-oneFarnesiferol A
Show more names
Farnesiferol A >=85% (NMR)7-[[(1S,4aβ)-Decahydro-6α-hydroxy-5,5,8aα-trimethyl-2-methylenenaphthalen-1-yl]methoxy]-2H-1-benzopyran-2-one2H-1-Benzopyran-2-one, 7-[[(1S,4aS,6R,8aR)-decahydro-6-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]methoxy]-
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 666
Experimental & physicochemical properties
Melting Point155 - 155.5 °C
Physical DescriptionSolid
Physicochemical properties
- storage temp.
- -20 °C · -20°C
- solubility
- 1 mg/mL · DMSO: 1mg/mL
- form
- solid
- Major Application
- metabolomicsvitamins, nutraceuticals, and natural products
- InChIKey
- FCWYNTDTQPCVPG-WTMJVXIESA-N
- SMILES
- O[C@H]1C(C)(C)[C@]2([H])[C@@]([C@@H](COC3=CC=C(C=CC(O4)=O)C4=C3)C(CC2)=C)(C)CC1
- FDA UNII
- 8 YC9944MPJ · 8YC9944MPJ
- UNSPSC Code
- 12352205 · 12352205
- NACRES
- 25 · NA.25
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
Usesmetabolomicsvitamins, nutraceuticals, and natural products
Suppliers3 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
湖北萃园生物科技有限公司18162795156 18162795156 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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