Basic information
- CAS
17884-88-7- Standard SMILES
CC1(C)CCC2(CO)CC=C3C(C)(CCC4C3(C)CCC3C(C)(C)C(O)CCC43C)C2C1- InChIKey
RJAKLUPHSBOQNU-UHFFFAOYSA-N- Molecular formula
- C30H50O2
- Average molar mass
- 442.7 g/mol
- Monoisotopic mass
- 442.38108083
Names & identifiers
- Preferred name
- Myricardiol
- IUPAC
- 8a-(hydroxymethyl)-4,4,6a,6a,11,11,14b-heptamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol
- English name
- D-Friedoolean-14-ene-3β,28-diol
- Molecular formula
- C30H50O2
- Molecular weight
- 442.73
Names & synonyms
MyricardiolSAA88488(3beta)-D-Friedoolean-14-ene-3,28-diolMyricadiolTaraxer-14-ene-3beta,28-diolD-Friedoolean-14-ene-3β,28-diol27-Norolean-14-ene-3,28-diol, 13-methyl-, (3β,13α)-
Database identifiers
- CAS
17884-88-7- PubChem CID
- 4979342
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 810
Experimental & physicochemical properties
Melting Point271 - 273 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 262 · 262-263 °C
- Boiling point
- 520.5 · 520.5±50.0 °C(Predicted)
- Density
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- pka
- 14.99 · 14.99±0.10(Predicted)
- LogP
- 9.171 · 9.171 (est)
- FDA UNII
- 89 VO0CMD4F · 89VO0CMD4F
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Applications
UsesMyricadiol, a pentacyclic triterpenoid compound, is a potential lead compound for anticancer agent. Myricadiol can be isolated from Scaevola spinescens R. Br. (Goodeniaceae)[1].
Suppliers27 total
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
江苏永健医药科技有限公司17701422015 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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