| 2D Structure | |
| CID | 6441104 |
| IUPAC Name | [(E,6R)-6-hydroxy-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-5-oxohept-3-en-2-yl] acetate |
| InChI | InChI=1S/C38H56O13/c1-18(40)51-33(2,3)13-12-25(42)38(9,48)30-21(41)15-35(6)24-11-10-19-20(37(24,8)26(43)16-36(30,35)7)14-22(31(47)34(19,4)5)49-32-29(46)28(45)27(44)23(17-39)50-32/h10,12-13,20-24,27-30,32,39,41,44-46,48H,11,14-17H2,1-9H3/b13-12+/t20-,21-,22+,23-,24+,27-,28+,29-,30+,32-,35+,36-,37+,38+/m1/s1 |
| InChI Key | PQOVWWZVVIGRPP-BBANTJNRSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C38H56O13 |
| Molecular Weight | 720.8 |
| synonyms | ['Arvenin I', '65247-27-0', '[(E,6R)-6-hydroxy-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-5-oxohept-3-en-2-yl] acetate', '((E,6R)-6-hydroxy-6-((2S,8S,9R,10R,13R,14S,16R,17R)-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta(a)phenanthren-17-yl)-2-methyl-5-oxohept-3-en-2-yl) acetate', 'Cucurbitacin B 2-O-beta-D-glucoside', 'CHEMBL540114', 'orb1684676', 'CHEBI:230752', 'HY-N6579', 'AKOS040760354', 'FS-7536', 'DA-62531', 'CS-0034275', 'NS00094076', '19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-2-(beta-D-glucophranosyloxy)-16,20-dihydroxy-9-methyl-, (2beta, 9beta, 10apha, 16alpha,23E)-'] |
From Pubchem