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Substance Name: Tetronothiodin
RN: 139643-79-1
InChIKey: WWHAZVYADWRKPA-SFYXYOTASA-N

Note

  • From Streptomyces sp. NR0489; cholecystokinin receptor antagonist.

Molecular Formula

  • C31-H38-O8-S

Molecular Weight

  • 570.6992
 
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Names and Synonyms

Name of Substance

  • Tetronothiodin

Synonym

  • 3a,4,5,8,9,10,15,15a,18,19,23,23a-Dodecahydro-9,24-dihydroxy-4,17,18-trimethyl-alpha,21,23-trioxo-3H,21H-19a,22-metheno-1H-thieno(3,4-e)(1)benzoxacycloeicosin-3-acetic acid

Systematic Name

  • 3H,21H-19a,22-Metheno-1H-thieno(3,4-e)(1)benzoxacycloeicosin-3-acetic acid, 3a,4,5,8,9,10,15,15a,18,19,23,23a-dodecahydro-9,24-dihydroxy-4,17,18-trimethyl-alpha,21,23-trioxo-

Registry Numbers

CAS Registry Number

  • 139643-79-1

System Generated Number

  • 0139643791

Structure Descriptors

InChI

1S/C31H38O8S/c1-17-10-8-9-13-21(32)12-7-5-4-6-11-20-14-18(2)19(3)15-31(20)28(35)24(30(38)39-31)25(33)22-16-40-27(23(17)22)26(34)29(36)37/h4-9,14,17,19-23,27,32,35H,10-13,15-16H2,1-3H3,(H,36,37)/b6-4+,7-5+,9-8+

InChIKey

WWHAZVYADWRKPA-SFYXYOTASA-N

Smiles

CC1C/C=C/CC(C/C=C/C=C/CC2C=C(C(CC23C(=C(C(=O)C4C1C(SC4)C(=O)C(=O)O)C(=O)O3)O)C)C)O