Geometry & MOs
Info
ID: |
83953 |
PubChem CID: |
49862805 |
Reduced: |
O3N8C9H18 (1) |
Stoich.: |
A3B8C9D18 (1) |
Weight, g/mol: |
990.50356 |
ΔHf, kcal/mol: |
-63.33 |
Dipole, Da: |
1.46 |
IP(EA), eV: |
-9.63(0.02) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(1R,3aS,5aR,5bR,7aR,8S,9R,11aR,11bR,13aR,13bS)-3a-[(2R,3S,4R,5R,6S)-6-[[(2S,3S,4S,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxycarbonyl-1-[(2S)-1,2-dihydroxypropan-2-yl]-9-hydroxy-5a,5b,8,11a-tetramethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-8-carboxylic acid