| Synonyms |
19-Norlanost-5-en-11-one, 3-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-24,25-dihydroxy-9-methyl-, (3β,9β,10α,24R)-; (1S,4R,8β,9β,24R)-24,25-Dihydroxy-9,10,14-trimethyl-11-oxo-4,9-cyclo-9,10-secocholest-5-en-1-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside; Estr-5-en-11-one, 17-[(1R,4R)-4,5-dihydroxy-1,5-dimethylhexyl]-3-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-4,4,9,14-tetramethyl-, (3β,8α,9β,10α,17β)-; (3β,9β,10α,24R)-3-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-24,25-dihydroxy-9-methyl-19-norlanost-5-en-11-one |
| IUPAC Name |
(3S,8S,9R,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,9,13,14-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one |
| Molecular Weight |
799.01 |
| Molecular Formula |
C42H70O14 |
| Canonical SMILES |
CC(CCC(C(C)(C)O)O)C1CCC2(C1(CC(=O)C3(C2CC=C4C3CCC(C4(C)C)OC5C(C(C(C(O5)COC6C(C(C(C(O6)CO)O)O)O)O)O)O)C)C)C |
| InChI |
InChI=1S/C42H70O14/c1-20(9-13-27(44)39(4,5)52)21-15-16-40(6)26-12-10-22-23(42(26,8)28(45)17-41(21,40)7)11-14-29(38(22,2)3)56-37-35(51)33(49)31(47)25(55-37)19-53-36-34(50)32(48)30(46)24(18-43)54-36/h10,20-21,23-27,29-37,43-44,46-52H,9,11-19H2,1-8H3/t20-,21-,23-,24-,25-,26+,27-,29+,30-,31-,32+,33+,34-,35-,36-,37+,40+,41-,42+/m1/s1 |
| InChIKey |
HDNXQUYFKKXCTG-NIYDTQHZSA-N |
| Boiling Point |
914.7±65.0°C (Predicted) |
| Purity |
≥90% |
| Density |
1.33±0.1 g/cm3 (Predicted) |
| Solubility |
Soluble in DMSO |
| Appearance |
Powder |
| Storage |
Store at 2-8 °C |
| Complexity |
1450 |
| Exact Mass |
798.47655690 |
| Target |
HSV |
| XLogP3-AA |
1.9 |
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