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Substance Name: Calphostin C
RN: 121263-19-2
UNII: I271P23G24
InChIKey: SRJYZPCBWDVSGO-NHCUHLMSSA-N

Note

  • Isolated from Cladosporium cladosporioides.

Molecular Formula

  • C44-H38-O14

Molecular Weight

  • 790.7702
 

Classification Codes

  • Antibiotics, Antineoplastic
  • Antineoplastic Agents
  • Enzyme Inhibitors
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Names and Synonyms

Name of Substance

  • Calphostin C

Synonyms

  • Calphostin C
  • HSDB 7592
  • Ucn 1028 C
  • UCN 1028C
  • UCN-1028C
  • UNII-I271P23G24

Systematic Names

  • Carbonic acid, (1R)-2-(12-((2R)-2-(benzoyloxy)propyl)-3,10-dihydro-4,9-dihydroxy-2,6,7,11-tetramethoxy-3,10-dioxo-1-perylenyl)-1-methylethyl 4-hydroxyphenyl ester, stereoisomer
  • Carbonic acid, 2-(12-(2-(benzoyloxy)propyl)-3,10-dihydro-4,9-dihydroxy-2,6,7,11-tetramethoxy-3,10-dioxo-1-perylenyl)-1-methylethyl 4-hydroxyphenyl ester

Registry Numbers

CAS Registry Number

  • 121263-19-2

FDA UNII

  • I271P23G24

System Generated Number

  • 0121263192

Structure Descriptors

InChI

1S/C44H38O14/c1-20(56-43(50)22-10-8-7-9-11-22)16-25-31-32-26(17-21(2)57-44(51)58-24-14-12-23(45)13-15-24)42(55-6)40(49)34-28(47)19-30(53-4)36(38(32)34)35-29(52-3)18-27(46)33(37(31)35)39(48)41(25)54-5/h7-15,18-21,45-47H,16-17H2,1-6H3/t20-,21-/m1/s1

InChIKey

SRJYZPCBWDVSGO-NHCUHLMSSA-N

Smiles

COC1=C(C[C@@H](C)OC(=O)Oc2ccc(O)cc2)c3c4C(=C(OC)C(=O)c5c(O)cc(OC)c(c45)c6c(OC)cc(O)c(C1=O)c36)C[C@@H](C)OC(=O)c7ccccc7