| 2D Structure | |
| CID | 119287 |
| IUPAC Name | (1S,2S,4R,6S,9S,10R,11R,14R,15R)-17-hydroxy-6-(2-hydroxypropan-2-yl)-2,9,11,14,19,19-hexamethyl-5-oxapentacyclo[12.8.0.02,11.04,10.015,20]docosa-16,20-diene-8,13,18-trione |
| InChI | InChI=1S/C30H42O6/c1-15-18(31)12-23(27(4,5)35)36-20-13-28(6)21-10-9-16-17(11-19(32)25(34)26(16,2)3)30(21,8)22(33)14-29(28,7)24(15)20/h9,11,15,17,20-21,23-24,32,35H,10,12-14H2,1-8H3/t15-,17-,20-,21+,23+,24+,28+,29-,30+/m1/s1 |
| InChI Key | MBYLRWSUZLFUTO-PQNVQGKDSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C30H42O6 |
| Molecular Weight | 498.6 |
| synonyms | ['Cucurbitacin S', 'Cucurbitacins', '60137-06-6', '(1S,2S,4R,6S,9S,10R,11R,14R,15R)-17-hydroxy-6-(2-hydroxypropan-2-yl)-2,9,11,14,19,19-hexamethyl-5-oxapentacyclo[12.8.0.02,11.04,10.015,20]docosa-16,20-diene-8,13,18-trione', '19-Norlanosta-1,5-diene-3,11,22-trione, 16,24-epoxy-2,25-dihydroxy-9-methyl-, (9beta,10alpha,16alpha,24S)-', '(1S,2S,4R,6S,9S,10R,11R,14R,15R)-17-hydroxy-6-(2-hydroxypropan-2-yl)-2,9,11,14,19,19-hexamethyl-5-oxapentacyclo(12.8.0.02,11.04,10.015,20)docosa-16,20-diene-8,13,18-trione', 'RefChem:128726', 'W3RWP6CB48', 'DTXSID601047950', 'CHEBI:3953', 'orb1689931', 'SCHEMBL28822148', 'DTXSID80975565', 'LMST01010116', 'AKOS037514602', 'FC73839', 'FS-7050', 'DA-62542', 'NS00094070', 'C08806', 'Q27106271', '(4R,24S)-2,25-Dihydroxy-9alpha,10,14-trimethyl-8beta,16alpha,17alpha-16,24-epoxy-4,9-cyclo-9,10-secocholesta-2,5-diene-1,11,22-trione', '2,25-Dihydroxy-9,10,14-trimethyl-16,24-epoxy-4,9-cyclo-9,10-secocholesta-2,5-diene-1,11,22-trione'] |
From Pubchem