Try beta.chemspider
- Double-bond stereo
- 9 of 15 defined stereocentres
(2R,3R,8S,9R)-2-[(1S,3S,5R,7E,9E,11E,13E)-15-Amino-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyl-15-oxo-7,9,11,13-pentadecatetraen-1-yl]-7-{(2E)-3-[2-(4-{[(2S,4S)-4-(dimethylamino)-2,3-dihydroxy-5-me thoxypentanoyl]amino}-2-butanyl)-1,3-oxazol-4-yl]-2-propen-1-yl}-9-hydroxy-4,4,8-trimethyl-1,6-dioxaspiro[4.5]dec-3-yl dihydrogen phosphate (non-preferred name)
C[C@H]1[C@@H](CC2(C([C@H]([C@H](O2)[C@H](C[C@@H](C(C)[C@@H](C(C)/C=C(\C)/C(=C/C=C/C(=C/C(=O)N)/C)/C)O)O)OC)OP(=O)(O)O)(C)C)OC1C/C=C/c3coc(n3)C(C)CCNC(=O)[C@H](C([C@H](COC)N(C)C)O)O)O
InChI=1S/C50H83N4O16P/c1-28(22-41(51)57)16-14-17-29(2)31(4)23-32(5)42(58)34(7)37(55)24-40(66-13)45-46(70-71(62,63)64)49(8,9)50(69-45)25-38(56)33(6)39(68-50)19-15-18-35-26-67-48(53-35)30(3)20-21-52-47(61)44(60)43(59)36(27-65-12)54(10)11/h14-18,22-23,26,30,32-34,36-40,42-46,55-56,58-60H,19-21,24-25,27H2,1-13H3,(H2,51,57)(H,52,61)(H2,62,63,64)/b16-14+,18-15+,28-22+,29-17+,31-23+/t30?,32?,33-,34?,36-,37-,38+,39?,40-,42+,43?,44-,45+,46-,50?/m0/s1
GTJWBKWRZBNEEQ-INISGQCASA-N
CSID:34957361, http://www.chemspider.com/Chemical-Structure.34957361.html (accessed 21:22, Apr 23, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
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