Try beta.chemspider
- Double-bond stereo
- 12 of 52 defined stereocentres
[(E)-1-[2-[(1S,6Z,10Z,12Z,16Z,20Z,27Z,44Z,48Z,54Z,58Z,60Z,65R,67R,68R)-3,5,9,15,19,22,24,29,30,31,32,38,40,42,46,47,50,52,56,67,68-henicosahydroxy-10,17,26,53,68-pentamethyl-36,64-dioxo-35,69-dioxa-63-azabicyclo[63.3.1]nonahexaconta-6,10,12,16,20,27,44,48,54,58,60-undecaen-34-yl]ethyl]-2,3,6,9,10,12-hexahydroxy-4-methyl-15-[(2S,4S,6R,8S)-4-methyl-8-[2,3,6,7-tetrahydroxy-4-methyl-7-[(2S,4S,5S,6S)-4,5,6-trihydroxy-6-[[(3,4,5-trihydroxy-9-methyl-7-sulfooxy-tetradecanoyl)amino]methyl]tetrahydropyran-2-yl]heptyl]-1,7-dioxaspiro[5.5]undecan-2-yl]pentadec-7-enyl] hydrogen sulfate
CCCCCC(C)CC(CC(C(C(CC(=O)NCC1(C(C(CC(O1)C(C(CC(C)C(C(CC2CCCC3(O2)CC(CC(O3)CCCC(CC(C(C=CC(CC(C)C(C(C(CCC4CC(C(C(C(C=CC(CC(CC(C=CC(CC(=CC(CC=CC=C(C(CC=CC(CC(CC5C(C(CC(O5)C(=O)NCC=CC=CCC(C=CC(C(CC(C=CC(C(C=CCC(CC(CC(CC(=O)O4)O)O)O)O)O)O)O)C)O)O)(C)O)O)O)O)C)O)C)O)O)O)C)O)O)O)O)OS(=O)(=O)O)O)O)O)O)O)O)C)O)O)O)O)O)O)O)O)O)O)OS(=O)(=O)O
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-APRZZKMTSA-N
CSID:9621135, http://www.chemspider.com/Chemical-Structure.9621135.html (accessed 02:17, Jul 4, 2024)
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
No predicted properties have been calculated for this compound.
Click to predict properties on the Chemicalize site
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