Try beta.chemspider
- Charge
- 13 of 14 defined stereocentres
(1S,9R,15R,18R,19R,20S,21S,29R,36S,38R,39R,40S)-15,35-Diallyl-10,30-dioxa-8,28-diaza-15,35-diazoniatridecacyclo[33.5.2.2~15,21~.0~1,36~.0~2,7~.0~8,40~.0~9,19~.0~13,18~.0~16,21~.0~20,28~.0~22,27~.0~29, 39~.0~33,38~]tetratetraconta-2,4,6,12,22,24,26,32-octaene
O%10C\C=C4/[C@H]2[C@@H]%11[C@@H]5N(c1ccccc1[C@]53[C@H](C2)[N@@+](C\C=C)(CC3)C4)[C@@H]8OC\C=C%13/[C@@H]7CC%12[C@]9(c6ccccc6N([C@H]9[C@@H]78)[C@H]%10%11)CC[N@@+]%12(C\C=C)C%13
InChI=1S/C44H50N4O2/c1-3-17-47-19-15-43-31-9-5-7-11-33(31)45-39(43)37-29(23-35(43)47)27(25-47)13-21-49-41(37)46-34-12-8-6-10-32(34)44-16-20-48(18-4-2)26-28-14-22-50-42(45)38(40(44)46)30(28)24-36(44)48/h3-14,29-30,35-42H,1-2,15-26H2/q+2/t29-,30-,35-,36?,37+,38+,39-,40-,41+,42+,43+,44+,47-,48-/m0/s1
VVZBCIOJHKFEKW-ACVXWVCASA-N
CSID:8503567, http://www.chemspider.com/Chemical-Structure.8503567.html (accessed 14:38, May 22, 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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