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Substance Name: Escholerin
RN: 663-93-4
UNII: C3AAP9GKQN
InChIKey: NBNVSMQHFPYGPR-QOYBZXIRSA-N

Molecular Formula

  • C41-H61-N-O13

Molecular Weight

  • 775.9269
 
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Names and Synonyms

Name of Substance

  • Escholerin

Synonyms

  • Cevane-3,4,6,7,14,15,16,20-octol, 4,9-epoxy-, 6,7-diacetate 15-((2R)-2-methylbutanoate) 3-((2Z)-2-methyl-2-butenoate), (3beta,4alpha,6alpha,7alpha,15alpha,16beta)-
  • Cevane-3,4,6,7,14,15,16,20-octol, 4,9-epoxy-, 6,7-diacetate 15-(2-methylbutanoate) 3-(2-methyl-2-butenoate), (3beta(Z),4alpha,6alpha,7alpha,15alpha(R),16beta)-
  • Cevane-3beta,4beta,6alpha,7alpha,14,15alpha,16beta,20-octol, 4,9-epoxy-, 6,7-diacetate 15-((-)-2-methylbutyrate) 3-(2-methylcrotonate), (Z)-
  • Escholerin
  • UNII-C3AAP9GKQN

Registry Numbers

CAS Registry Number

  • 663-93-4

FDA UNII

  • C3AAP9GKQN

System Generated Number

  • 0000663934

Structure Descriptors

InChI

1S/C41H61NO13/c1-10-20(4)35(46)53-27-14-15-37(8)32-30(51-22(6)43)31(52-23(7)44)33-39(37,55-41(27,32)50)16-25-24-18-42-17-19(3)12-13-26(42)38(9,48)28(24)29(45)34(40(25,33)49)54-36(47)21(5)11-2/h10,19,21,24-34,45,48-50H,11-18H2,1-9H3/b20-10-/t19-,21+,24-,25-,26-,27-,28+,29+,30-,31+,32-,33+,34-,37-,38+,39+,40-,41+/m0/s1

InChIKey

NBNVSMQHFPYGPR-QOYBZXIRSA-N

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](CC[C@@]5(C)[C@@H]7[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]6[C@]14O)OC(=O)\C(=C/C)\C