Basic information
- CAS
33068-29-0- Standard SMILES
CC1CCC2(O)C3(C)CC4(O)OC2(C1O)C1(O)C3(O)C(OC(=O)c2[nH]c(Br)c(Br)c2Br)C(O)(C(C)C)C41C- InChIKey
BQSPTYKMBASMDW-UHFFFAOYSA-N- Molecular formula
- C25H32Br3NO9
- Average molar mass
- 730.2 g/mol
- Monoisotopic mass
- 726.96272
Names & identifiers
- Preferred name
- Ryanodol, 3-(3,4,5-tribromo-1H-pyrrole-2-carboxylate)
- IUPAC
- (2,6,9,11,13,14-hexahydroxy-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl) 3,4,5-tribromo-1H-pyrrole-2-carboxylate
Names & synonyms
24,25,26-TribromopyranodineBRN 6029396Ryanodol, 3-(3,4,5-tribromo-1H-pyrrole-2-carboxylate)33068-29-0RefChem:3793794,6,7,8a,8b,9a-hexahydroxy-3,6a,9-trimethyl-7-(propan-2-yl)dodecahydro-6,9-methanobenzo[1,2]pentaleno[1,6-bc]furan-8-yl 3,4,5-tribromo-1h-pyrrole-2-carboxylateDTXSID10954686
Database identifiers
- CAS
33068-29-0- PubChem CID
- 169488
- DTXSID
DTXSID10954686
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,120
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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