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Substance Name: Cycloleonurinin
RN: 135447-56-2
InChIKey: KGOVKRHETJWBCR-RBJHRMQTSA-N

Note

  • From Leonuri Fructus, a traditional Chinese drug originating from the fruits of Leonurus artemisia.

Molecular Weight

  • 1336.4595
 
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Names and Synonyms

Name of Substance

  • Cycloleonurinin

Systematic Name

  • Cycloleonurinin

Registry Numbers

CAS Registry Number

  • 135447-56-2

System Generated Number

  • 0135447562

Structure Descriptors

InChI

1S/C65H85N13O18/c1-34-55(86)67-33-52(85)75-26-4-8-47(75)61(92)73-53(35(2)79)62(93)69-43(24-25-51(66)84)56(87)72-46(32-39-16-22-42(83)23-17-39)63(94)78-29-7-11-50(78)64(95)76-27-5-10-49(76)60(91)71-44(30-37-12-18-40(81)19-13-37)57(88)70-45(31-38-14-20-41(82)21-15-38)58(89)74-54(36(3)80)65(96)77-28-6-9-48(77)59(90)68-34/h12-23,34-36,43-50,53-54,79-83H,4-11,24-33H2,1-3H3,(H2,66,84)(H,67,86)(H,68,90)(H,69,93)(H,70,88)(H,71,91)(H,72,87)(H,73,92)(H,74,89)/t34-,35+,36+,43-,44-,45-,46-,47-,48-,49-,50-,53-,54?/m0/s1

InChIKey

KGOVKRHETJWBCR-RBJHRMQTSA-N

Smiles

C[C@H]1C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N5CCC[C@H]5C(=O)N1)[C@@H](C)O)Cc6ccc(cc6)O)Cc7ccc(cc7)O)Cc8ccc(cc8)O)CCC(=O)N)[C@@H](C)O