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Substance Name: Loloatin B 10
RN: 182422-45-3
InChIKey: NCSVKCQAZJKNPW-NIHLUMFWSA-N

Molecular Formula

  • C67-H85-N13-O14

Molecular Weight

  • 1296.49
 
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Names and Synonyms

  • Loloatin B 10

Registry Numbers

CAS Registry Number

  • 182422-45-3

System Generated Number

  • 0182422453

Structure Descriptors

InChI

1S/C67H85N13O14/c1-4-15-46-58(85)72-47(22-13-28-68)59(86)73-48(30-38(2)3)60(87)79-54(33-41-24-26-43(81)27-25-41)67(94)80-29-14-23-55(80)66(93)78-50(32-40-18-9-6-10-19-40)62(89)74-49(31-39-16-7-5-8-17-39)61(88)76-52(35-56(69)82)64(91)77-53(36-57(83)84)65(92)75-51(63(90)71-46)34-42-37-70-45-21-12-11-20-44(42)45/h5-12,16-21,24-27,37-38,46-55,70,81H,4,13-15,22-23,28-36,68H2,1-3H3,(H2,69,82)(H,71,90)(H,72,85)(H,73,86)(H,74,89)(H,75,92)(H,76,88)(H,77,91)(H,78,93)(H,79,87)(H,83,84)/t46-,47-,48-,49+,50-,51-,52-,53-,54+,55-/m0/s1

InChIKey

NCSVKCQAZJKNPW-NIHLUMFWSA-N

Smiles

C(N)CC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2c3c([nH]c2)cccc3)NC(=O)[C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H]2N(C([C@@H](NC([C@@H](NC1=O)CC(C)C)=O)Cc1ccc(cc1)O)=O)CCC2)=O)Cc1ccccc1)=O)Cc1ccccc1)=O)CC(N)=O)=O)CC(O)=O)CCC