Basic information
- CAS
2412138-09-9- Standard SMILES
COc1ccc(Cc2cc(Cc3c(OC)ccc(C=O)c3O)c(O)cc2OC)c(O)c1- InChIKey
AMQSQVAEEQMNSA-UHFFFAOYSA-N- Molecular formula
- C24H24O7
- Average molar mass
- 424.4 g/mol
- Monoisotopic mass
- 424.1522031
Names & identifiers
- Preferred name
- Sepiumol C
- IUPAC
- 2-hydroxy-3-[[2-hydroxy-5-[(2-hydroxy-4-methoxyphenyl)methyl]-4-methoxyphenyl]methyl]-4-methoxybenzaldehyde
- English name
- Sepiumol C
- Molecular formula
- C24H24O7
- Molecular weight
- 424.44
Names & synonyms
Sepiumol C2412138-09-9orb1680446EX-A4650MWD13809TN6296AKOS040763344SepiumolsCBenzaldehyde, 2-hydroxy-3-[[2-hydroxy-5-[(2-hydroxy-4-methoxyphenyl)methyl]-4-methoxyphenyl]methyl]-4-methoxy-
Database identifiers
- CAS
2412138-09-9- PubChem CID
- 154824637
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 558
Physicochemical properties
- Boiling point
- 636.5 · 636.5±55.0 °C(Predicted)
- Density
- 1.297 · 1.297±0.06 g/cm3(Predicted)
- pka
- 7.79 · 7.79±0.40(Predicted)
Chemistry & industry
Suppliers8 total
云南西力生物技术股份有限公司0871-65217109 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海博湖生物科技有限公司021-57763112 13585886131 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
四川百奥克睿生物科技有限公司28-86-28-8543-3893 13260669172 · [email protected]
北京谱析科技有限公司400-808-7372 13161114455 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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