Basic information
- CAS
1176-44-9- Standard SMILES
CC(C)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21C- InChIKey
ZRLNBWWGLOPJIC-UHFFFAOYSA-N- Molecular formula
- C30H52
- Average molar mass
- 412.7 g/mol
- Monoisotopic mass
- 412.40690166
Names & identifiers
- Preferred name
- 5a,5b,8,8,11a,13b-Hexamethyl-3-propan-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene
- IUPAC
- 5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene
- English name
- 17beta(H), 21alpha(H)-hopane
- Molecular formula
- C30H52
- Molecular weight
- 412.73
Names & synonyms
A'-Neogammacerane, (17alpha)-13849-96-217ALPHA(H),21ALPHA(H)-HOPANE17BETA(H), 21ALPHA(H)-HOPANE5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene17BETA(H), 21BETA(H)-HOPANE(17alpha)-A'-neogammacerane(21beta)-A'-Neogammacerane17a(H),21a(H)-HopaneA'-Neogammacerane, (21beta)-ZRLNBWWGLOPJIC-UHFFFAOYSA-NLS-15301
Show more names
MoretaneIsohopane21αH-Hopane(21β)-Hopane(21β)-A'-Neogammacerane21α(h)-a'-neogammaceraneA'-Neogammacerane, (21β)-(21S)-A'-Neo-5α-gammacerane17β(h),21α(h)-hopane solution
Database identifiers
- CAS
1176-44-9、13849-96-2- PubChem CID
- 14441
Properties
Computed structural properties
- XLogP
- 11.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 688
Physicochemical properties
- Melting point
- 186.5 · 186.5-187.5 °C
- Boiling point
- 457.4 · 457.4±12.0 °C(Predicted)
- Density
- 0.925 · 0.925±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- EPA Substance Registry System
- A'-Neogammacerane, (21.beta.)- (1176-44-9)
- 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
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
- 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
Chemistry & industry
Suppliers8 total
坛墨质检科技股份有限公司4008-099-669 · [email protected]
广州伟伯科技有限公司[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
SIGMA—
CHIRON[email protected]
上海甄准生物科技有限公司15800340161 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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