Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009864
PROPERTIES
| NPAID | NPA009864 |
|---|---|
| CLUSTER ID | 4036 |
| NODE ID | 3004 |
| NAME | Antrocin |
| FORMULA | C15H22O2 |
| MOLECULAR WEIGHT (Da) | 234.3390 |
| ACCURATE MASS (Da) | 234.1620 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Antrodia |
| ORIGIN SPECIES | cinnamomea |
| InChIKey | SDYJYMBMSYYZIC-HUBLWGQQSA-N |
| InChI | InChI=1S/C15H22O2/c1-10-5-6-12-14(2,3)7-4-8-15(12)11(10)9-17-13(15)16/h11-12H,1,4-9H2,2-3H3/t11-,12-,15-/m0/s1 |
| SMILES | C=C1CC[C@H]2C(C)(C)CCC[C@@]23C(=O)OC[C@@H]13 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Chiang, Hung-Chen; Wu, De-Peng; Cherng, I-Wha; Ueng, Chuen-Her A sesquiterpene lactone, phenyl and biphenyl compounds from Antrodia cinnamomea Phytochemistry 1995 39 (3) 613-616. | ||
|---|---|---|---|
| DOI | 10.1016/0031-9422(95)00025-3 | PMID | - |
SYNTHESES
| CITATION 1 | Huang SH; Liang KH; Lu JS; Chang WS; Su MD; Yang TF Total Synthesis of (+)-Antrocin and Its Diastereomer and Clarification of the Absolute Stereochemistry of (-)-Antrocin. Journal of Organic Chemistry 2017 82 (18) 9576-9584. DOI: 10.1021/acs.joc.7b01600 PMID: 28825480 | ||
|---|---|---|---|
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CC1(CCCC23C1CCC(=C)C2COC3=O)C | Chiang, Hung-Chen; Wu, De-Peng; Cherng, I-Wha; Ueng, Chuen-Her A sesquiterpene lactone, phenyl and biphenyl compounds from Antrodia cinnamomea Phytochemistry 1995 39 (3) 613-616. DOI: 10.1016/0031-9422(95)00025-3 | ||
| 2 | C=C1CC[C@H]2C(C)(C)CCC[C@@]23C(=O)OC[C@@H]13 | Angamuthu, Venkatachalam; Tai, Dar-Fu Synthesis of Natural (-)-Antrocin and its Enantiomer via Stereoselective Aldol Reaction. Molecules 2020 25 (4) None. DOI: 10.3390/molecules25040831 PMID: 32075004 | ||
