| SpectraBase Compound ID | 7j94YsZQJb9 |
|---|---|
| InChI | InChI=1S/C32H50O4/c1-19-11-16-32(27(34)35)18-17-30(7)22(26(32)20(19)2)9-10-24-29(6)14-13-25(36-21(3)33)28(4,5)23(29)12-15-31(24,30)8/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35)/t19-,20+,23+,24-,25+,26+,29+,30-,31-,32+/m1/s1 |
| InChIKey | PHFUCJXOLZAQNH-OTMOLZNZSA-N |
| Mol Weight | 498.7 g/mol |
| Molecular Formula | C32H50O4 |
| Exact Mass | 498.37091 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4Ak3aamT5Oz |
|---|---|
| Name | 3-.beta.-Acetoxy-urs-12-en-28-oic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H50O4 |
| InChI | InChI=1S/C32H50O4/c1-19-11-16-32(27(34)35)18-17-30(7)22(26(32)20(19)2)9-10-24-29(6)14-13-25(36-21(3)33)28(4,5)23(29)12-15-31(24,30)8/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35)/t19-,20+,23+,24-,25+,26+,29+,30-,31-,32+/m1/s1 |
| InChIKey | PHFUCJXOLZAQNH-OTMOLZNZSA-N |
| Literature Reference DOI | 10.1002/cmdc.201200282 |
| Molecular Weight | 498.748 g/mol |
| SMILES | OC([C@]12CC[C@@]3(C([C@@]2([C@]([C@@](CC1)(C)[H])(C)[H])[H])=CC[C@@]1([C@]2(CC[C@](OC(C)=O)(C([C@@]2(CC[C@@]31C)[H])(C)C)[H])C)[H])C)=O |
| SPLASH | splash10-0036-9000000000-5600c5e40b0ee827faab |
| Source of Spectrum | CMC-7-1641-2 |
| Synonyms | (1S,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-acetoxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-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 | 1771847 |