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Substance Name: Miophytocen A
RN: 99764-49-5
UNII: 5T85BY9B6A
InChIKey: CMYUURXKIJZUGB-QZANRFNGSA-N

Molecular Formula

  • C29-H38-O8

Molecular Weight

  • 514.6112
 
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Names and Synonyms

Name of Substance

  • Miophytocen A

Synonyms

  • (9R-(3E,9R*(R*),10E,12Z,16R*,16As*,17R*,18R*,19ar*,20R*,23ar*))-6,7,16,16a,17,18,19a,20-octahydro-17-hydroxy-9-(1-hydroxyethyl)-5,16a,21-trimethyl-16,18:17,20-dimethano-1H,3H,23H-(1,6,12)trioxacyclooctadecino(3,4-d)(1)benzopyran-3,14(9H)-dione
  • 16,18:17,20-Dimethano-1H,3H,23H-(1,6,12)trioxacyclooctadecino(3,4-d)(1)benzopyran-3,14(9H)-dione, 6,7,16,16a,17,18,19a,20-octahydro-17-hydroxy-9-((1R)-1-hydroxyethyl)-5,16a,21-trimethyl-, (4E,9R,10E,12Z,16R,16aS,17R,18R,19aR,20R,23aR)-
  • Miophytocen A
  • UNII-5T85BY9B6A

Registry Numbers

CAS Registry Number

  • 99764-49-5

FDA UNII

  • 5T85BY9B6A

System Generated Number

  • 0099764495

Structure Descriptors

InChI

1S/C29H38O8/c1-17-10-12-34-21(19(3)30)7-5-6-8-24(31)36-22-14-23-29(33)15-20-18(2)9-11-28(26(20)37-23,27(22,29)4)16-35-25(32)13-17/h5-9,13,19-23,26,30,33H,10-12,14-16H2,1-4H3/b7-5+,8-6-,17-13+/t19-,20-,21-,22-,23-,26-,27-,28-,29+/m1/s1

InChIKey

CMYUURXKIJZUGB-QZANRFNGSA-N

Smiles

C[C@@H](O)[C@@H]1OCC\C(=C\C(=O)OC[C@@]23CC=C(C)[C@H]4C[C@]5(O)[C@@H](C[C@@H](OC(=O)\C=C/C=C/1)[C@]25C)O[C@@H]34)\C