| SpectraBase Compound ID | 7wU8Jyz3DQv |
|---|---|
| InChI | InChI=1S/C32H50O4/c1-19(2)21-11-16-32(27(34)35)18-17-30(7)22(26(21)32)9-10-24-29(6)14-13-25(36-20(3)33)28(4,5)23(29)12-15-31(24,30)8/h21-26H,1,9-18H2,2-8H3,(H,34,35)/t21-,22+,23?,24+,25-,26+,29-,30+,31+,32-/m0/s1 |
| InChIKey | ACWNTJJUZAIOLW-FVBYXWJYSA-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 | 8aL5G3MFLCM |
|---|---|
| Name | 3-(acetyloxy)lup-20(29)-en-28-oic acid |
| CAS Registry Number | 10376-50-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H50O4 |
| InChI | InChI=1S/C32H50O4/c1-19(2)21-11-16-32(27(34)35)18-17-30(7)22(26(21)32)9-10-24-29(6)14-13-25(36-20(3)33)28(4,5)23(29)12-15-31(24,30)8/h21-26H,1,9-18H2,2-8H3,(H,34,35)/t21-,22+,23?,24+,25-,26+,29-,30+,31+,32-/m0/s1 |
| InChIKey | ACWNTJJUZAIOLW-FVBYXWJYSA-N |
| Molecular Weight | 498.748 g/mol |
| SMILES | OC([C@]12CC[C@]3([C@]4([C@]([C@]5(CC[C@@](C(C5CC4)(C)C)(OC(=O)C)[H])C)([H])CC[C@@]3([C@]2([C@@](CC1)(C(=C)C)[H])[H])[H])C)C)=O |
| SPLASH | splash10-000i-0970600000-2ef9daaf01d20ea09eeb |
| Source of Spectrum | AD-0-917-0 |
| Synonyms | 3-O-acetylbetulinic acid 9-Acetoxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid 9-Acetyloxy-5a,5b,8,8,11a-pentamethyl-1-(1-methylethenyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid 9-Acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid Acetobetulinic acid Acetylbetulinic acid Betulic acid acetate Betulinic acid acetate |
| Wiley ID | 1398640 |