Desmethylspirolide C

CAS Registry Number®

334974-07-1

CAS Name

Desmethylspirolide C

Molecular Formula

C42H61NO7

Molecular Mass

691.94

Cite this Page

Desmethylspirolide C.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=334974-07-1 (retrieved 2024-11-26) (CAS RN: 334974-07-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H61NO7/c1-25-9-8-10-37-40(23-28(4)29(5)24-43-37)15-13-33(36-21-27(3)38(45)47-36)30(6)34(40)20-26(2)35(44)22-32-12-16-41(48-32)17-18-42(50-41)39(7,46)14-11-31(19-25)49-42/h20-21,28-29,31-32,34-36,44,46H,1,8-19,22-24H2,2-7H3/b26-20+/t28-,29-,31-,32-,34-,35-,36-,39+,40+,41+,42+/m0/s1

InChIKey

InChIKey=TWYUDVVIPSUDIG-ATTOJWKXSA-N

SMILES

CC=1[C@]/2([C@@]3(C(=NC[C@H](C)[C@@H](C)C3)CCCC(=C)C[C@]4(O[C@]5(O[C@@]6(O[C@](C[C@H](O)\C(\C)=C2)(CC6)[H])CC5)[C@](C)(O)CC4)[H])CCC1[C@@H]7C=C(C)C(=O)O7)[H]

Canonical SMILES

O=C1OC(C=C1C)C2=C(C)C3C=C(C)C(O)CC4OC5(OC6(OC(CC(=C)CCCC7=NCC(C)C(C)CC73CC2)CCC6(O)C)CC5)CC4

Other Names for this Substance

  • 2(5H)-Furanone, 5-[(2R,3S,11R,14S,15S,18S,21R,23R,24E,25aR,29aS)-2,3,4,6,7,8,9,10,11,12,13,14,16,17,19,20,21,22,23,25a,28,29-docosahydro-14,23-dihydroxy-2,3,14,24,26-pentamethyl-9-methylene-11,15:15,18:18,21-triepoxy-1H-benzo[2,3]cyclotricos[1,2-b]azepin-27-yl]-3-methyl-, (3R)-rel-
  • rel-(3R)-5-[(2R,3S,11R,14S,15S,18S,21R,23R,24E,25aR,29aS)-2,3,4,6,7,8,9,10,11,12,13,14,16,17,19,20,21,22,23,25a,28,29-Docosahydro-14,23-dihydroxy-2,3,14,24,26-pentamethyl-9-methylene-11,15:15,18:18,21-triepoxy-1H-benzo[2,3]cyclotricos[1,2-b]azepin-27-yl]-3-methyl-2(5H)-furanone
  • Desmethylspirolide C
  • 13-Desmethylspirolide C
  • 13-Desmethyl C spirolide

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CAS INSIGHTSTM
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