Geometry & MOs
Info
ID: |
340559 |
PubChem CID: |
127262570 |
Reduced: |
BNO3C7H10 (1) |
Stoich.: |
ABC3D7E10 (1) |
Weight, g/mol: |
768.465992 |
ΔHf, kcal/mol: |
-164.86 |
Dipole, Da: |
5.17 |
IP(EA), eV: |
-9.29(-0.34) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(8R,9S,10S,14S,17S)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-10-(hydroxymethyl)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,14-tetramethyl-1,2,3,5,6,7,9,11,12,13,15,17-dodecahydrocyclopenta[a]phenanthren-16-one