Try beta.chemspider
- 32 of 32 defined stereocentres
[(2S,3R,4S,5R)-2-[(2S,3R,4S,5S)-3-acetoxy-2-[[(3S,8R,9S,10R,13S,14S,16S,17S)-17-[(1S)-1,5-dimethyl-2-oxo-hexyl]-17-hydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]-5-hydroxy-tetrahydropyran-4-yl]oxy-3,5-dihydroxy-tetrahydropyran-4-yl] 3,4-dimethoxybenzoate
C[C@H](C(=O)CCC(C)C)[C@]1([C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)O)O)O)C)C)O[C@H]8[C@@H]([C@H]([C@H](CO8)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)OC(=O)c1ccc(c(c1)OC)OC)O)OC(=O)C)O
InChI=1S/C66H100O31/c1-27(2)9-13-36(69)28(3)66(83)44(95-63-57(90-29(4)68)56(38(71)24-87-63)97-61-54(81)55(37(70)23-86-61)96-58(82)30-10-14-39(84-7)40(19-30)85-8)21-35-33-12-11-31-20-32(15-17-64(31,5)34(33)16-18-65(35,66)6)91-62-53(80)50(77)47(74)43(94-62)26-89-60-52(79)49(76)46(73)42(93-60)25-88-59-51(78)48(75)45(72)41(22-67)92-59/h10-11,14,19,27-28,32-35,37-38,41-57,59-63,67,70-81,83H,9,12-13,15-18,20-26H2,1-8H3/t28-,32+,33-,34+,35+,37-,38+,41-,42-,43-,44+,45-,46-,47-,48+,49+,50+,51-,52-,53-,54-,55+,56+,57-,59-,60-,61+,62-,63+,64+,65+,66-/m1/s1
IFTKRNDDDZUSKQ-PWVPXDFOSA-N
CSID:24720391, http://www.chemspider.com/Chemical-Structure.24720391.html (accessed 02:37, Apr 30, 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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