Catalog Number |
ACM5939571 |
CAS |
5939-57-1 |
IUPAC Name |
(2S,3S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one |
Molecular Weight |
518.7 |
Molecular Formula |
C30H46O7 |
Canonical SMILES |
CC1(C(C(CC2C1=CCC3C2(C(=O)CC4(C3(CC(C4C(C)(C(=O)C=CC(C)(C)O)O)O)C)C)C)O)O)C |
InChI |
InChI=1S/C30H46O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23-24,31-32,35-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20+,23+,24-,27+,28-,29+,30+/m1/s1 |
InChI Key |
AOHIGMQGPFTKQX-QZPKXHNASA-N |
Flash Point |
372.7ºC |
Purity |
98% |
Density |
1.24g/cm3 |
Appearance |
Powder |
Exact Mass |
518.32400 |
Log P |
2.72030 |
PSA |
135.29000 |
Refractive Index |
1.587 |