| 2D Structure | |
| CID | 129907392 |
| Target | / |
| IUPAC Name | (10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2S,4R,5R)-1,4,5,6-tetrahydroxy-6-methylheptan-2-yl]-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one |
| InChI | InChI=1S/C30H50O5/c1-26(2)23-9-8-21-20(28(23,5)13-12-24(26)33)11-15-29(6)19(10-14-30(21,29)7)18(17-31)16-22(32)25(34)27(3,4)35/h8,18-20,22-23,25,31-32,34-35H,9-17H2,1-7H3/t18-,19+,20?,22-,23?,25-,28-,29+,30-/m1/s1 |
| InChI Key | VFAVAJMDEDOYNT-OZDBNWBTSA-N |
| Canonical SMILES | CC1(C2CC=C3C(C2(CCC1=O)C)CCC4(C3(CCC4C(CC(C(C(C)(C)O)O)O)CO)C)C)C |
| Isomeric SMILES | C[C@@]12CCC3C(=CCC4[C@@]3(CCC(=O)C4(C)C)C)[C@]1(CC[C@H]2[C@H](C[C@H]([C@H](C(C)(C)O)O)O)CO)C |
| Molecular Formula | C30H50O5 |
| Molecular Weight | 490.7 |
| synonyms | ['Aglaiodiol', '(10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(1S,3R,4R)-3,4,5-trihydroxy-1-(hydroxymethyl)-5-methyl-hexyl]-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one'] |
From Pubchem