| SpectraBase Compound ID | Kh9ncLkb6Wl |
|---|---|
| InChI | InChI=1S/C30H46O4/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/h8,17,20-22,24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,20-,21+,22-,24+,27+,28-,29-,30+/m1/s1 |
| InChIKey | HHTRBFQBAMTIOP-SWPOCXOTSA-N |
| Mol Weight | 470.7 g/mol |
| Molecular Formula | C30H46O4 |
| Exact Mass | 470.33961 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3Bs8oe03ND3 |
|---|---|
| Name | Goreishic acid I |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H46O4 |
| InChI | InChI=1S/C30H46O4/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/h8,17,20-22,24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,20-,21+,22-,24+,27+,28-,29-,30+/m1/s1 |
| InChIKey | HHTRBFQBAMTIOP-SWPOCXOTSA-N |
| Molecular Weight | 470.694 g/mol |
| SMILES | OC([C@]12C(C3=CC[C@@]4([C@@]5([C@](C([C@]([C@@](C5)(O)[H])(O)[H])(C)C)(CC[C@]4([C@@]3(CC1)C)C)[H])C)[H])=C([C@@](CC2)(C)[H])C)=O |
| SPLASH | splash10-0ff9-0290300000-859074c8aebdbc9af8da |
| Source of Spectrum | E1-38-944-1 |
| Synonyms | (2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR)-1,2,6a,6b,9,9,12a-heptamethyl-10,11-bis(oxidanyl)-3,4,5,6,6a,7,8,8a,10,11,12,13-dodecahydro-2H-picene-4a-carboxylic acid (2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13-dodecahydro-2H-picene-4a-carboxylic acid |
| Wiley ID | 1518278 |