Try beta.chemspider
- Double-bond stereo
- 12 of 52 defined stereocentres
(6S)-1,5-Dideoxy-6-(7-{(2S,6R,8S,10S)-8-[(8E)-17-[(1R,5E,7E,11E,17E,21E,38E,45E,49E,53E,55E,59E,65S,66R,67R)-10,14,16,19,20,24,26,28,34,35,36,37,42,44,47,51,57,61,63,66,67-henicosahydroxy-13,40,49,56, 66-pentamethyl-2,30-dioxo-31,69-dioxa-3-azabicyclo[63.3.1]nonahexaconta-5,7,11,17,21,38,45,49,53,55,59-undecaen-32-yl]-4,6,7,10,13,14-hexahydroxy-12-methyl-15-(sulfooxy)-8-heptadecen-1-yl]-10-methyl-1 ,7-dioxaspiro[5.5]undec-2-yl}-1,2,5,6-tetrahydroxy-4-methylheptyl)-1-{[3,4,5-trihydroxy-9-methyl-7-(sulfooxy)tetradecanoyl]amino}-beta-L-erythro-hex-2-ulopyranose
O[C@H]1C[C@H](O[C@@](O)(CNC(=O)CC(O)C(O)C(O)CC(CC(C)CCCCC)OS(O)(=O)=O)[C@H]1O)C(O)C(O)CC(C)C(O)C(O)C[C@@H]5CCC[C@]4(C[C@@H](C)C[C@H](CCCC(O)CC(O)C(O)/C=C/C(O)CC(C)C(O)C(O)C(CCC2OC(=O)CC(O)CC(O)CC(O)C/C=C/C(O)C(O)/C=C/C(O)CC(O)C(C)/C=C/C(O)C\C=C\C=C\CNC(=O)[C@H]3C[C@@H](O)[C@@](C)(O)[C@H](CC(O)CC(O)/C=C/CC(O)C(\C)=C\C=C\CC(O)\C=C(/C)CC(O)/C=C/C(O)CC(O)CC(C)/C=C/C(O)C(O)C(O)C(O)C2)O3)OS(=O)(O)=O)O4)O5
InChI=1S/C128H220N2O53S2/c1-11-12-15-24-72(2)52-96(182-184(171,172)173)66-106(153)119(162)108(155)68-115(158)130-71-128(170)124(167)109(156)67-111(181-128)120(163)104(151)55-79(9)117(160)105(152)65-95-32-23-47-127(180-95)70-75(5)53-94(179-127)31-20-28-84(135)61-103(150)100(147)45-40-86(137)54-78(8)118(161)123(166)110(183-185(174,175)176)46-42-93-64-107(154)122(165)121(164)101(148)43-35-73(3)49-89(140)58-87(138)39-38-85(136)51-74(4)50-81(132)27-18-17-25-76(6)97(144)33-21-29-83(134)57-91(142)62-114-126(10,169)113(157)69-112(178-114)125(168)129-48-19-14-13-16-26-80(131)37-36-77(7)102(149)60-88(139)41-44-99(146)98(145)34-22-30-82(133)56-90(141)59-92(143)63-116(159)177-93/h13-14,16-19,21-22,25,29,34-41,43-45,50,72-73,75,77-114,117-124,131-157,160-167,169-170H,11-12,15,20,23-24,26-28,30-33,42,46-49,51-71H2,1-10H3,(H,129,168)(H,130,158)(H,171,172,173)(H,174,175,176)/b16-13+,18-17+,19-14+,29-21+,34-22+,37-36+,39-38+,43-35+,44-41+,45-40+,74-50+,76-25+/t72?,73?,75-,77?,78?,79?,80?,81?,82?,83?,84?,85?,86?,87?,88?,89?,90?,91?,92?,93?,94-,95-,96?,97?,98?,99?,100?,101?,102?,103?,104?,105?,106?,107?,108?,109-,110?,111-,112+,113+,114-,117?,118?,119?,120?,121?,122?,123?,124-,126+,127+,128-/m0/s1
NGCPTBMWWDVMQB-RAVWUMKASA-N
CSID:10480784, http://www.chemspider.com/Chemical-Structure.10480784.html (accessed 02:36, Jul 4, 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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