| SpectraBase Compound ID | JMZEjUmrcQ9 |
|---|---|
| InChI | InChI=1S/C30H46O5/c1-18(2)9-8-10-20(27(34)35)26-24(31)17-30(7)23-12-11-21(19(3)4)28(5,15-14-25(32)33)22(23)13-16-29(26,30)6/h9,20-21,24,26,31H,3,8,10-17H2,1-2,4-7H3,(H,32,33)(H,34,35)/t20-,21+,24-,26+,28+,29-,30+/m1/s1 |
| InChIKey | VPTZOSBKEDUOFE-KXGBKNTBSA-N |
| Mol Weight | 486.7 g/mol |
| Molecular Formula | C30H46O5 |
| Exact Mass | 486.334525 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BahxJUn6kH1 |
|---|---|
| Name | Poricoic acid G |
| Alternate Name(s) | (2R)-2-[(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-(1-methylethenyl)-1,2,3,4,5,7,8,9-octahydrocyclopenta[a]naphthalen-3-yl]-6-methyl-5-heptenoic acid (2R)-2-[(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,7,8,9-octahydrocyclopenta[a]naphthalen-3-yl]-6-methylhept-5-enoic acid (2R)-2-[(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-7-isopropenyl-3a,6,9b-trimethyl-1,2,3,4,5,7,8,9-octahydrobenz[e]inden-3-yl]-6-methyl-hept-5-enoic acid (2R)-2-[(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-7-isopropenyl-3a,6,9b-trimethyl-1,2,3,4,5,7,8,9-octahydrocyclopenta[a]naphthalen-3-yl]-6-methyl-hept-5-enoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H46O5 |
| InChI | InChI=1S/C30H46O5/c1-18(2)9-8-10-20(27(34)35)26-24(31)17-30(7)23-12-11-21(19(3)4)28(5,15-14-25(32)33)22(23)13-16-29(26,30)6/h9,20-21,24,26,31H,3,8,10-17H2,1-2,4-7H3,(H,32,33)(H,34,35)/t20-,21+,24-,26+,28+,29-,30+/m1/s1 |
| InChIKey | VPTZOSBKEDUOFE-KXGBKNTBSA-N |
| Molecular Weight | 486.693 g/mol |
| SMILES | OC([C@@]([C@@]1([C@@]2([C@@](C[C@]1(O)[H])(C1=C(CC2)[C@]([C@@](CC1)(C(=C)C)[H])(CCC(=O)O)C)C)C)[H])(CCC=C(C)C)[H])=O |
| SPLASH | splash10-00ku-9041600000-1c6875a7d4fddc096ca9 |
| Source of Spectrum | G4-65-465-1 |
| Wiley ID | 1639397 |