Cas no 67991-38-2 (mortonin C)

mortonin C structure
mortonin C structure
Product Name:mortonin C
CAS No:67991-38-2
MF:C29H32O8
MW:508.559589385986
CID:2025068
Update Time:2025-04-21

mortonin C Chemical and Physical Properties

Names and Identifiers

    • mortonin C
    • (5alpha,5abeta,6beta,9alpha,9abeta)-5,6-bis(Benzoyloxy)-5,5a,6,7,8,9-hexahydro-9-hydroxy-2,2,5a,9-tetramethyl-1-benzoxepin-9a(2H)-carboxylic acid
    • Inchi: 1S/C29H32O8/c1-26(2)17-15-21(35-23(30)19-11-7-5-8-12-19)28(4)22(36-24(31)20-13-9-6-10-14-20)16-18-27(3,34)29(28,37-26)25(32)33/h5-15,17,21-22,34H,16,18H2,1-4H3,(H,32,33)
    • InChI Key: MSODVHHPKJJTBU-UHFFFAOYSA-N
    • SMILES: CC1(C2(C(C(C=CC(O2)(C)C)OC(C2C=CC=CC=2)=O)(C)C(OC(C2C=CC=CC=2)=O)CC1)C(=O)O)O

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 37
  • XLogP3: 3.851
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