Try beta.chemspider
- Double-bond stereo
- 22 of 22 defined stereocentres
(2E,4E,6E)-7-{(2S,3S,5R)-5-[(2S,3S,4E,6E)-8-{[(2S)-2-[(2R,3R,4R,6S)-2,4-Dihydroxy-6-[(1E,3E)-5-hydroxy-1,3-pentadien-1-yl]-5,5-dimethyl-3-(2-phenylacetoxy)tetrahydro-2H-pyran-2-yl]-3-{[(2R,4S,5R,6S)-5 -{[(2R,4R,5S,6S)-5-{[(2S,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}propanoyl]am ino}-3-methoxy-4-methyl-4,6-octadien-2-yl]-3-hydroxytetrahydro-2-furanyl}-2,4,6-heptatrienoic acid (non-preferred name)
CC1(C)[C@H](/C=C/C=C/CO)O[C@@](O)([C@H](OC(=O)CC2C=CC=CC=2)[C@@H]1O)[C@H](CO[C@H]1C[C@H](OC)[C@H](O[C@@H]2C[C@@H](OC)[C@@H](O[C@H]3C[C@H](OC)[C@H](O)[C@H](C)O3)[C@H](C)O2)[C@H](C)O1)C(=O)NC/C=C/C=C(\C)/[C@@H](OC)[C@@H](C)[C@H]1C[C@H](O)[C@H](/C=C/C=C/C=C/C(O)=O)O1
InChI=1S/C65H95NO22/c1-38(58(79-11)39(2)47-33-45(68)46(84-47)27-18-12-13-20-29-52(69)70)24-21-22-30-66-63(74)44(65(75)62(85-53(71)32-43-25-16-14-17-26-43)61(73)64(6,7)51(88-65)28-19-15-23-31-67)37-80-54-35-49(77-9)59(41(4)82-54)87-56-36-50(78-10)60(42(5)83-56)86-55-34-48(76-8)57(72)40(3)81-55/h12-29,39-42,44-51,54-62,67-68,72-73,75H,30-37H2,1-11H3,(H,66,74)(H,69,70)/b13-12+,22-21+,23-15+,27-18+,28-19+,29-20+,38-24+/t39-,40-,41-,42-,44+,45-,46-,47+,48-,49-,50+,51-,54+,55-,56+,57+,58+,59+,60-,61-,62+,65+/m0/s1
VNFGTTTVTHAILI-ITZRARLTSA-N
CSID:78440953, http://www.chemspider.com/Chemical-Structure.78440953.html (accessed 12:53, Jun 3, 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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