| SpectraBase Spectrum ID |
3yl54qagZw |
| Name |
(2S,4aR,6aR,6aS,6bR,8aR,9S,10R,12aR,14bS)-10-hydroxy-2,6a,6b,9,12a-pentamethyl-9-methylol-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid |
| Alternate Name(s) |
(2S,4aR,6aR,6aS,6bR,8aR,9S,10R,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
(2S,4aR,6aR,6aS,6bR,8aR,9S,10R,12aR,14bS)-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-oxidanyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H46O6 |
| InChI |
InChI=1S/C30H46O6/c1-25(23(33)34)12-14-30(24(35)36)15-13-28(4)18(19(30)16-25)6-7-21-26(2)10-9-22(32)27(3,17-31)20(26)8-11-29(21,28)5/h6,19-22,31-32H,7-17H2,1-5H3,(H,33,34)(H,35,36)/t19-,20+,21+,22+,25-,26-,27+,28+,29+,30-/m0/s1 |
| InChIKey |
CLXOLTFMHAXJST-MUGPYEOZSA-N |
| Molecular Weight |
502.692 g/mol |
| SMILES |
OC([C@@]1(C[C@]2(C=3[C@]([C@@]4(CC[C@]5([C@]([C@@](CC[C@@]5([C@]4(CC3)[H])C)(O)[H])(CO)C)[H])C)(CC[C@]2(CC1)C(=O)O)C)[H])C)=O |
| SPLASH |
splash10-0040-0590000000-da9b1dab6dbdcf8ceaad |
| Source of Spectrum |
X2-49-229-9 |
| Wiley ID |
1601852 |
