(3S,3Ar,5aS,5bR,11aS)-3-ethyl-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13-tetradecahydrocyclopenta[a]chrysene
Basic information
- CAS
72633-85-3- Standard SMILES
CC[C@H]1CCC2=C3CCC4[C@@]5(C)CCCC(C)(C)C5CC[C@@]4(C)[C@]3(C)CC[C@@]21C- InChIKey
VMOPXFUKKSSVEI-DRDIYDORSA-N- Molecular formula
- C29H48
- Average molar mass
- 396.7 g/mol
- Monoisotopic mass
- 396.37560153
Names & identifiers
- Preferred name
- (3S,3Ar,5aS,5bR,11aS)-3-ethyl-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13-tetradecahydrocyclopenta[a]chrysene
- IUPAC
- (3S,3aR,5aS,5bR,11aS)-3-ethyl-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13-tetradecahydrocyclopenta[a]chrysene
- English name
- 30-NORNEOHOP-13(18)-ENE
- Molecular formula
- C28H46
- Molecular weight
- 382.66
Names & synonyms
72633-85-3(3S,3Ar,5aS,5bR,11aS)-3-ethyl-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13-tetradecahydrocyclopenta[a]chryseneDTXSID10583718(3S,3aR,5aS,5bR,11aS)-3-Ethyl-3a,5a,5b,8,8,11a-hexamethyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13-octadecahydro-1H-cyclopenta[a]chrysene30-NORNEOHOP-13(18)-ENE30-Norneohop-13(18)-ene solution30-Norneohop-13(18)-ene in isooctane
Database identifiers
- CAS
72633-85-3- PubChem CID
- 16212876
- DTXSID
DTXSID10583718
Properties
Computed structural properties
- XLogP
- 10
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 726
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Hazard Codes
- F,Xn,N
- Risk Statements
- 11 · 11-38-50/53-65-67
- Safety Statements
- 60 · 60-61-62
- RIDADR
- 1262 · UN 1262 3/PG 2
- WGK Germany
- 1 · 1
- F
- 10 · 10-23
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 10-23
- wgk
- 1
- ridadr
- UN 1262 3/PG 2
- risk_code
- 11-38-50/53-65-67
- hazard_code
- F,Xn,N
- safety_code
- 60-61-62
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Related reactions
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Compound notes
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