NEOGERMITRINE TANNATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C76H52O46.C36H55NO11
Molecular Weight	2379.0205
Optical Activity	UNSPECIFIED
Defined Stereocenters	22 / 22
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

CC[C@@H](C)C(=O)O[C@H]1[C@H](O)[C@H]2[C@@H](CN3C[C@@H](C)CC[C@H]3[C@@]2(C)O)[C@@H]4C[C@@]56O[C@@]7(O)[C@@H](C[C@@H](OC(C)=O)[C@H]5[C@]14O)[C@]6(C)CC[C@@H]7OC(C)=O.OC8=CC(=CC(O)=C8O)C(=O)OC9=C(O)C(O)=CC(=C9)C(=O)OC[C@H]%10O[C@@H](OC(=O)C%11=CC(OC(=O)C%12=CC(O)=C(O)C(O)=C%12)=C(O)C(O)=C%11)[C@H](OC(=O)C%13=CC(OC(=O)C%14=CC(O)=C(O)C(O)=C%14)=C(O)C(O)=C%13)[C@@H](OC(=O)C%15=CC(OC(=O)C%16=CC(O)=C(O)C(O)=C%16)=C(O)C(O)=C%15)[C@@H]%10OC(=O)C%17=CC(OC(=O)C%18=CC(O)=C(O)C(O)=C%18)=C(O)C(O)=C%17

InChI

InChIKey=HUASMUATSZUOQI-AYPJBBEHSA-N

InChI=1S/C76H52O46.C36H55NO11/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26;1-8-18(3)31(41)47-30-28(40)27-21(16-37-15-17(2)9-10-25(37)33(27,7)42)22-14-34-29(35(22,30)43)23(45-19(4)38)13-24-32(34,6)12-11-26(46-20(5)39)36(24,44)48-34/h1-20,52,63-65,76-101H,21H2;17-18,21-30,40,42-44H,8-16H2,1-7H3/t52-,63-,64+,65-,76+;17-,18+,21-,22-,23+,24-,25-,26-,27+,28+,29+,30-,32-,33+,34+,35-,36-/m10/s1

HIDE SMILES / InChI