| SpectraBase Compound ID | 3skTqZN6ZsN |
|---|---|
| InChI | InChI=1S/C29H40O5/c1-15(17(3)27(33)34)7-8-16(2)19-9-10-20-25-23(31)13-21-18(4)22(30)11-12-28(21,5)26(25)24(32)14-29(19,20)6/h16-21H,1,7-14H2,2-6H3,(H,33,34)/t16-,17?,18+,19?,20?,21?,28?,29?/m1/s1 |
| InChIKey | DVORYMAGXQGBQK-TWZGHLFOSA-N |
| Mol Weight | 468.6 g/mol |
| Molecular Formula | C29H40O5 |
| Exact Mass | 468.287574 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8w0TG1RaaFN |
|---|---|
| Name | Zhankuic acid A |
| Alternate Name(s) | (6R)-2-methyl-3-methylidene-6-[(4S)-4,10,13-trimethyl-3,7,11-trioxo-1,2,4,5,6,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid (6R)-2-methyl-3-methylene-6-[(4S)-4,10,13-trimethyl-3,7,11-trioxo-1,2,4,5,6,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid (6R)-2-methyl-3-methylidene-6-[(4S)-4,10,13-trimethyl-3,7,11-tris(oxidanylidene)-1,2,4,5,6,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H40O5 |
| InChI | InChI=1S/C29H40O5/c1-15(17(3)27(33)34)7-8-16(2)19-9-10-20-25-23(31)13-21-18(4)22(30)11-12-28(21,5)26(25)24(32)14-29(19,20)6/h16-21H,1,7-14H2,2-6H3,(H,33,34)/t16-,17?,18+,19?,20?,21?,28?,29?/m1/s1 |
| InChIKey | DVORYMAGXQGBQK-TWZGHLFOSA-N |
| Molecular Weight | 468.634 g/mol |
| SMILES | OC(C(C(CC[C@](C1C2(CC(C3=C(C2CC1)C(=O)CC1C3(CCC(=O)[C@]1(C)[H])C)=O)C)(C)[H])=C)C)=O |
| SPLASH | splash10-0hmt-6579700000-6af17eb8a7d73799f3cf |
| Source of Spectrum | G4-58-1659-1 |
| Wiley ID | 1606078 |