(3S,4aR,6aR,6aR,6bR,8S,8aS,12S,12aS,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-3,8-diol
Basic information
- CAS
6750-30-7- Standard SMILES
C=C1CC[C@@]2(C)[C@@H]([C@@H]1C)[C@H]1CCC3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@@H]2O- InChIKey
IOPDFSGGBHSXSV-MIISSIQISA-N- Molecular formula
- C30H50O2
- Average molar mass
- 442.7 g/mol
- Monoisotopic mass
- 442.38108083
Names & identifiers
- Preferred name
- (3S,4aR,6aR,6aR,6bR,8S,8aS,12S,12aS,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-3,8-diol
- IUPAC
- (3S,4aR,6aR,6aR,6bR,8S,8aS,12S,12aS,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-3,8-diol
- English name
- ARNIDIOL
- Molecular formula
- C30H50O2
- Molecular weight
- 442.72
Names & synonyms
(3S,4aR,6aR,6aR,6bR,8S,8aS,12S,12aS,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-3,8-diolAinidiolArnidenediolARNIDIOL3,16-dihydroxytaraxeneArnidiol, 10 mM in DMSO3b,16b-dihydroxytaraxeneInhibitor,inhibit,Arnidiol(18α,19α)-Urs-20(30)-ene-3β,16β-diol(3β,16β,18α,19α)-Urs-20(30)-ene-3,16-diolUrs-20(30)-ene-3,16-diol, (3β,16β,18α,19α)-
Database identifiers
- CAS
6750-30-7- PubChem CID
- 470259
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 801
Physicochemical properties
- form
- Solid
- color
- White to off-white
- FDA UNII
- 94 L6R1Z6C · B94L6R1Z6C
Chemistry & industry
Applications
UsesArnidiol can be used as a potential triterpenoids for anti-viral activity against SARS-CoV-2 and related Coronaviruses.
Additional notes
DefinitionChEBI: Arnidenediol is a triterpenoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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