Molecular Structure:
CAS No.:
5508-58-7
Product Name.:
CCD No.:CCD00605935
Formula:C20 H30 O5
MolWeight:350.452
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| Product Name： | ANDROGRAPHOLIDE |
| CAS： | 5508-58-7 |
| English Synonyms： | ANDRO ; 2(3H)-FURANONE,3-[2-[(1R,4AS,5R,6R,8AS)-DECAHYDRO-6-HYDROXY-5-(HYDROXYMETHYL)-5,8A-DIMETHYL-2-METHYLENE-1-NAPHTHALENYL]ETHYLIDENE]DIHYDRO-4-HYDROXY-, (3E,4S)- ; ANDROGRAPHOLIDE ; (E)-4-HYDROXY-3-(2-((1R,5R,6R,8AS)-6-HYDROXY-5-(HYDROXYMETHYL)-5,8A-DIMETHYL-2-METHYLENEDECAHYDRONAPHTHALEN-1-YL)ETHYLIDENE)DIHYDROFURAN-2(3H)-ONE ; ANDROGRAPHIS ; (3E,4S)-3-[2-[(1R,4AS,5R,6R,8AS)-DECAHYDRO-6-HYDROXY-5-(HYDROXYMETHYL)-5,8A-DIMETHYL-2-METHYLENE-1-NAPHTHALENYL]ETHYLIDENE]DIHYDRO-4-HYDROXY-2(3H)-FURANONE ; (3E,4S)-3-[2-[(1R,4AS,5R,6R,8AS)-DECAHYDRO-6-HYDROXY-5-(HYDROXYMETHYL)-5,8A-DIMETHYL-2-METHYLENE-1-NAPHTHALENYL]ETHYLI ; ENT-(3BETA,12E,14R)-3,14,19-TRIHYDROXY-8(17),12-LABDADIEN-16,15-OLIDE |
| MDL Number.： | MFCD07778082 |
| H bond acceptor： | 5 |
| H bond donor： | 3 |
| Smile： | C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2C/C=C/3\[C@@H](COC3=O)O)(C)CO)O |
| InChi： | InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1 |
| InChiKey： | InChIKey=BOJKULTULYSRAS-OTESTREVSA-N |
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| Melting Point： | 229-232 DEG C(LIT)/229-232℃/229-232℃ |
| Comments： | BIOCHEM/PHYSIOL ACTIONS: DITERPENOID LACTONE WITH ANTI-INFLAMMATORY PROPERTIES. IT BLOCKS T-CELL PROLIFERATION TO ALLOGENIC STIMULI AND THE CHEMOTACTIC MIGRATION OF MACROPHAGES INDUCED BY COMPLEMENT. BLOCKS THE PROLIFERATION OF SEVERAL CANCER CELL LINES IN VITRO OPTICAL ACTIVITY: [ALPHA]20/D -126 DEG, C = 1.5 IN ACETIC ACID RTECS: LU3490750 UNSPSC: 12352100 WGK: 3 |
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| Safe Code： | S:22,24/25 |
| WGK Germany： | 3 |
Basic Information
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