2-[8-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]octanoyl-methylamino]acetic acid

Modify Date: 2024-04-02 19:13:15

2-[8-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]octanoyl-methylamino]acetic acid Structure
2-[8-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]octanoyl-methylamino]acetic acid structure
Common Name 2-[8-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]octanoyl-methylamino]acetic acid
CAS Number 150840-64-5 Molecular Weight 668.98900
Density 1.077g/cm3 Boiling Point 782.3ºC at 760mmHg
Molecular Formula C41H68N2O5 Melting Point N/A
MSDS N/A Flash Point 426.9ºC

 Names

Name 2-[8-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]octanoyl-methylamino]acetic acid

 Chemical & Physical Properties

Density 1.077g/cm3
Boiling Point 782.3ºC at 760mmHg
Molecular Formula C41H68N2O5
Molecular Weight 668.98900
Flash Point 426.9ºC
Exact Mass 668.51300
PSA 110.43000
LogP 8.84500
Vapour Pressure 2.86E-28mmHg at 25°C
Index of Refraction 1.529
InChIKey BYUSCTWVLGEQGP-CNEDUANUSA-N
SMILES C=C(C)C1CCC2(C(=O)NCCCCCCCC(=O)N(C)CC(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12
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