Try beta.chemspider
- Charge
- 12 of 12 defined stereocentres
(5bR,6S,12bS,13R,5b'R,6'S,12b'S,13'R,5b''R,6''S,12b''S,13''S)-13,13',13''-[Phosphorothioyltris(imino-2,1-ethanediyl)]tris(6-hydroxy-13-methyl-5b,6,7,12b,13,14-hexahydro[1,3]benzodioxolo[5,6-c][1,3]dio xolo[4,5-i]phenanthridin-13-ium) trihydroxide
C[N@@+]1(Cc2c(ccc3c2OCO3)[C@@H]4[C@H]1c5cc6c(cc5C[C@@H]4O)OCO6)CCNP(=S)(NCC[N@+]7(Cc8c(ccc9c8OCO9)[C@@H]1[C@H]7c2cc3c(cc2C[C@@H]1O)OCO3)C)NCC[N@@+]1(Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3)C.[OH-].[OH-].[OH-]
InChI=1S/C66H72N6O15PS.3H2O/c1-70(25-43-37(4-7-49-64(43)85-31-76-49)58-46(73)16-34-19-52-55(82-28-79-52)22-40(34)61(58)70)13-10-67-88(89,68-11-14-71(2)26-44-38(5-8-50-65(44)86-32-77-50)59-47(74)17-35-20-53-56(83-29-80-53)23-41(35)62(59)71)69-12-15-72(3)27-45-39(6-9-51-66(45)87-33-78-51)60-48(75)18-36-21-54-57(84-30-81-54)24-42(36)63(60)72;;;/h4-9,19-24,46-48,58-63,73-75H,10-18,25-33H2,1-3H3,(H3,67,68,69,89);3*1H2/q+3;;;/p-3/t46-,47-,48-,58-,59-,60-,61+,62+,63+,70-,71-,72+;;;/m0.../s1
KIGCDEJCMKDBHU-BFEXPSFBSA-K
CSID:34985781, http://www.chemspider.com/Chemical-Structure.34985781.html (accessed 04:25, Jun 5, 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
No predicted properties have been calculated for this compound.
Click to predict properties on the Chemicalize site
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