Try beta.chemspider
- Double-bond stereo
- 31 of 31 defined stereocentres
(1R,3R,6S,7E,9S,11Z,13S,16S,17S,18S,21R,22S)-27-Hydroxy-4-(hydroxymethyl)-3,8,12,18,20,22-hexamethyl-23,25-dioxo-9-({2,3,4,6-tetradeoxy-4-[(methoxycarbonyl)amino]-3-methyl-3-nitro-beta-D-xylo-hexopyra nosyl}oxy)-26-oxapentacyclo[22.2.1.0~1,6~.0~13,22~.0~16,21~]heptacosa-4,7,11,14,24(27)-pentaen-17-yl 2,6-dideoxy-alpha-L-ribo-hexopyranosyl-(1->3)-[2,6-dideoxy-4-O-methyl-beta-L-ribo-hexopyranosyl-(1- >4)]-2,6-dideoxy-alpha-L-ribo-hexopyranosyl-(1->3)-2,6-dideoxy-alpha-L-ribo-hexopyranoside
C[C@@]1(C[C@H](O[C@H]2CC=C(C)[C@@H]3C=C[C@H]4[C@@H]([C@@H](C)C[C@H](C)[C@@H]4O[C@H]4C[C@@H](O[C@H]5C[C@@H](O[C@H]6C[C@@H](O)[C@@H](O)[C@H](C)O6)[C@@H](O[C@@H]6C[C@@H](O)[C@@H](OC)[C@H](C)O6)[C@H](C)O5)[C@@H](O)[C@H](C)O4)[C@]3(C)C(=O)C3C(=O)O[C@@]4(C[C@@H](C)C(CO)=C[C@H]4C=C2C)C=3O)O[C@H](C)[C@@H]1NC(=O)OC)[N+]([O-])=O |t:7,83|
InChI=1S/C67H100N2O24/c1-29-15-18-45(88-52-27-65(11,69(79)80)60(38(10)87-52)68-64(78)82-14)30(2)20-40-21-39(28-70)33(5)26-67(40)62(76)53(63(77)93-67)61(75)66(12)42(29)17-16-41-54(66)31(3)19-32(4)57(41)91-51-24-46(56(74)35(7)84-51)89-50-25-47(90-48-22-43(71)55(73)34(6)83-48)59(37(9)86-50)92-49-23-44(72)58(81-13)36(8)85-49/h15-17,20-21,31-38,40-52,54-60,70-74,76H,18-19,22-28H2,1-14H3,(H,68,78)/b29-15-,30-20+/t31-,32-,33+,34-,35-,36-,37-,38+,40+,41-,42-,43+,44+,45-,46+,47+,48-,49+,50-,51-,52-,54+,55-,56-,57-,58-,59-,60-,65-,66+,67+/m0/s1
AAHYWTFSLXCSNH-XPIMKJQVSA-N
CSID:113617376, http://www.chemspider.com/Chemical-Structure.113617376.html (accessed 17:47, Jul 1, 2024)
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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