| SpectraBase Compound ID | 21PZI8XI82g |
|---|---|
| InChI | InChI=1S/C32H48O5/c1-19(33)37-24-10-11-29(6)23(28(24,4)5)9-12-31(8)25(29)22(34)17-20-21-18-27(2,3)13-15-32(21,26(35)36)16-14-30(20,31)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)/t21-,23-,24-,25+,29-,30+,31+,32-/m0/s1 |
| InChIKey | UYMVUDWLGIYLKY-LYQIAVTOSA-N |
| Mol Weight | 512.7 g/mol |
| Molecular Formula | C32H48O5 |
| Exact Mass | 512.350175 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2FPuRXlMjLw |
|---|---|
| Name | (4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-10-acetoxy-13-keto-2,2,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-4a-carboxylic acid |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H48O5 |
| InChI | InChI=1S/C32H48O5/c1-19(33)37-24-10-11-29(6)23(28(24,4)5)9-12-31(8)25(29)22(34)17-20-21-18-27(2,3)13-15-32(21,26(35)36)16-14-30(20,31)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)/t21-,23-,24-,25+,29-,30+,31+,32-/m0/s1 |
| InChIKey | UYMVUDWLGIYLKY-LYQIAVTOSA-N |
| Molecular Weight | 512.731 g/mol |
| SMILES | OC([C@]12[C@](C=3[C@]([C@@]4(CC[C@@]5([C@@]([C@]4(C(C3)=O)[H])(CC[C@](OC(=O)C)(C5(C)C)[H])C)[H])C)(CC1)C)(CC(CC2)(C)C)[H])=O |
| SPLASH | splash10-03di-0591050000-23e4eb00d5e3af918992 |
| Source of Spectrum | G4-63-767-2 |
| Synonyms | (4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-10-acetoxy-2,2,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-4a-carboxylic acid (4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-13-oxidanylidene-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-4a-carboxylic acid (4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-4a-carboxylic acid |
| Wiley ID | 1608406 |