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Substance Name: Nodulisporic acid
RN: 163120-03-4
UNII: 1K1CU6363A
InChIKey: UNCVXXVJJXJZII-QLETUHIQSA-N

Note

  • A novel indole diterpene insecticide.

Molecular Formula

  • C43-H53-N-O6

Molecular Weight

  • 679.8927
 
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Names and Synonyms

Name of Substance

  • Nodulisporic acid

Synonyms

  • (+)-Nodulisporic acid A
  • Nodulisporic acid
  • Nodulisporic acid A
  • Nodulisporic acid [MI]
  • UNII-1K1CU6363A

Registry Numbers

CAS Registry Number

  • 163120-03-4

FDA UNII

  • 1K1CU6363A

System Generated Number

  • 0163120034

Structure Descriptors

InChI

1S/C43H53NO6/c1-21(2)33-36(47)31-30-24(27-20-39(4,5)50-40(6,7)32(27)35(30)46)19-25-26-18-23-13-14-28-41(8,16-11-12-22(3)38(48)49)29(45)15-17-42(28,9)43(23,10)37(26)44(33)34(25)31/h11-12,16,19-20,23,28-29,32-33,35,45-46H,1,13-15,17-18H2,2-10H3,(H,48,49)/b16-11+,22-12+/t23-,28-,29-,32+,33-,35+,41-,42-,43+/m0/s1

InChIKey

UNCVXXVJJXJZII-QLETUHIQSA-N

Smiles

CC(=C)[C@H]1C(=O)c2c3c(cc4c2n1c5c4C[C@H]6[C@]5([C@]7(CC[C@@H]([C@@]([C@@H]7CC6)(C)/C=C/C=C(\C)/C(=O)O)O)C)C)C8=CC(OC([C@H]8[C@@H]3O)(C)C)(C)C