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]octanoylamino]acetic acid

Modify Date: 2025-09-30 22:09:38

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]octanoylamino]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]octanoylamino]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]octanoylamino]acetic acid
CAS Number 150840-52-1 Molecular Weight 654.96200
Density 1.081g/cm3 Boiling Point 803.3ºC at 760 mmHg
Molecular Formula C40H66N2O5 Melting Point N/A
MSDS N/A Flash Point 439.6ºC

 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]octanoylamino]acetic acid

 Chemical & Physical Properties

Density 1.081g/cm3
Boiling Point 803.3ºC at 760 mmHg
Molecular Formula C40H66N2O5
Molecular Weight 654.96200
Flash Point 439.6ºC
Exact Mass 654.49700
PSA 122.71000
LogP 9.34310
Vapour Pressure 7.51E-30mmHg at 25°C
Index of Refraction 1.528
InChIKey BXZDNQZTRBMXMH-KUFQZFQGSA-N
SMILES C=C(C)C1CCC2(C(=O)NCCCCCCCC(=O)NCC(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12
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