| SpectraBase Compound ID | 62G6WEpFJNo |
|---|---|
| InChI | InChI=1S/C34H50O9/c1-18-11-14-34(28(39)40)16-15-30(5)21(25(34)33(18,8)41)9-10-23-29(4)17-22(42-19(2)35)26(43-20(3)36)32(7,27(37)38)24(29)12-13-31(23,30)6/h9,18,22-26,41H,10-17H2,1-8H3,(H,37,38)(H,39,40)/t18-,22-,23-,24?,25-,26+,29-,30-,31-,32?,33-,34+/m1/s1 |
| InChIKey | YOFQGOPKBFTSNZ-LZCRGQGBSA-N |
| Mol Weight | 602.8 g/mol |
| Molecular Formula | C34H50O9 |
| Exact Mass | 602.345483 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | YYsyuRWiUO |
|---|---|
| Name | Diacetyl-vismiaefolic acid |
| Alternate Name(s) | (2alpha,3beta,9alpha)-2,3-bis(acetyloxy)-19-hydroxyurs-12-ene-23,28-dioic acid 2.alpha.,3.beta.-Diacetoxy-19..alpha.-hydroxy-Urs-12-ene-24,28-dioic Acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H50O9 |
| InChI | InChI=1S/C34H50O9/c1-18-11-14-34(28(39)40)16-15-30(5)21(25(34)33(18,8)41)9-10-23-29(4)17-22(42-19(2)35)26(43-20(3)36)32(7,27(37)38)24(29)12-13-31(23,30)6/h9,18,22-26,41H,10-17H2,1-8H3,(H,37,38)(H,39,40)/t18-,22-,23-,24?,25-,26+,29-,30-,31-,32?,33-,34+/m1/s1 |
| InChIKey | YOFQGOPKBFTSNZ-LZCRGQGBSA-N |
| Molecular Weight | 602.765 g/mol |
| SMILES | OC([C@]12CC[C@@]3(C(=CC[C@@]4([C@@]5(C(C(C(=O)O)([C@]([C@@](C5)(OC(=O)C)[H])(OC(=O)C)[H])C)CC[C@@]34C)C)[H])[C@@]2([C@@]([C@@](CC1)(C)[H])(O)C)[H])C)=O |
| SPLASH | splash10-0uea-0290000000-9b1ca71d7a1b022e5b41 |
| Source of Spectrum | X2-53-1440-2 |
| Wiley ID | 1603729 |