(2s,3r,6s)-2,8-Dibromo-9-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undecan-3-ol
Basic information
- CAS
185215-99-0- Standard SMILES
C=C1C[C@@H](O)[C@@H](Br)C(C)(C)[C@]12CCC(C)(Cl)C(Br)C2- InChIKey
KKDUTGUFMQDATD-LJURCNODSA-N- Molecular formula
- C15H23Br2ClO
- Average molar mass
- 414.6 g/mol
- Monoisotopic mass
- 411.98042
Overview
Cartilagineol has been reported in Aplysia dactylomela with data available.
Names & identifiers
- Preferred name
- (2s,3r,6s)-2,8-Dibromo-9-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undecan-3-ol
- IUPAC
- (3R,4S,6S)-4,10-dibromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undecan-3-ol
Names & synonyms
Cartilagineol185215-99-0(2s,3r,6s)-2,8-dibromo-9-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undecan-3-olCHEMBL1993422DTXSID00327926NSC703202NSC-703202NCI60_036904Spiro[5.5]undecan-3-ol,8-dibromo-9-chloro-1,1,9-trimethyl-5-methylene-,[2S-[2.alpha.,3.alpha.,6.alpha.(8S*,9S*)]]-
Database identifiers
- CAS
185215-99-0- PubChem CID
- 396684
- DTXSID
DTXSID00327926- ChEMBL
CHEMBL1993422、CHEMBL449617- Nikkaji
- J980.102B
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 398
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Related reactions
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Compound notes
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