| SpectraBase Spectrum ID |
B0OPI3Rc1zM |
| Name |
(1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10,11-bis(oxidanyl)-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H48O4 |
| InChI |
InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1 |
| InChIKey |
HFGSQOYIOKBQOW-ZSDYHTTISA-N |
| Molecular Weight |
472.710 g/mol |
| SMILES |
O[C@]1([C@@](C[C@]2([C@](C1(C)C)(CC[C@]1([C@]3(C(=CC[C@]21[H])[C@]1([C@@](CC3)(CC[C@]([C@@]1(C)[H])(C)[H])C(=O)O)[H])C)C)[H])C)(O)[H])[H] |
| SPLASH |
splash10-0002-5790000000-052a75be8cc93e242443 |
| Source of Spectrum |
PS-1999-0-65 |
| Synonyms |
(1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
| Wiley ID |
1393499 |
