basic_info |
|
| Product_Name： | 巴卡丁 III |
| CAS： | 27548-93-2 |
| 中文同义词： | 浆果赤霉素III ; 巴卡丁 III |
| EnglishSynonyms： | (2AR,4S,4AS,6R,9S,11S,12S,12AR,12BS)-6,12B-BIS(ACETYLOXY)-12-(BENZOYLOXY)-1,2A,3,4,4A,6,9,10,11,12,12A,12B-DODECAHYDRO-4,9,11-TRIHYDROXY-4A,8,13,13-TETRAMETHYL-7,11-METHANO-5H-CYCLODECA[3,4]BENZ[1,2-B]OXET-5-ONE ; BACCATIN III ; BACCATINE III ; (2ALPHA,5BETA,7BETA,10BETA,13ALPHA)-4,10-BIS(ACETYLOXY)-1,7,13-TRIHYDROXY-9-OXO-5,20-EPOXYTAX-11-EN-2-YL BENZOATE |
| pro_mdlNumber： | MFCD00153921 |
| pro_acceptors： | 11 |
| pro_donors： | 3 |
| pro_smile： | CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)c5ccccc5)(CO4)OC(=O)C)O)C)OC(=O)C |
| InChi： | InChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,26-,29+,30-,31+/m0/s1 |
| InChiKey： | InChIKey=OVMSOCFBDVBLFW-VHLOTGQHSA-N |
property |
|
| MeltingPoint： | 229-234℃/229-234℃ |
| Comments： | APPLICATION: PRECURSOR TO PACLITAXEL ASSAY METHOD: HPLC OTHER NOTES: TANDEM MASS SPECTROMETRY DATA INDEPENDENTLY GENERATED BY SCRIPPS CENTER FOR METABOLOMICS IS AVAILABLE TO VIEW OR DOWNLOAD IN PDF. B8154.PDF TESTED METABOLITES ARE FEATURED ON SCRIPPS CENTER FOR METABOLOMICS METLIN METABOLITE DATABASE. TO LEARN MORE, VISIT SIGMA.COM/METLIN STORAGE TEMPERATURE: 2-8 DEG C UNSPSC: 12352100 WGK: 3 |
secure_info |
|
| secure_symbol： |
GHS07
GHS08
|
| secure_signal_word： | Danger |
| secure_risk_stmt： | H315-H319-H335-H350 |
| secure_cautionary_stmt： | P201-P261-P305 + P351 + P338-P308 + P313 |
| secure_damage_code： | T |
| secure_risk_disclosure_stmt： | R:45-46-22-36/37/38 |
| secure_security_stmt： | S:53-22-26-36/37/39-45 |
| secure_wgk_germany： | 3 |
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