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Substance Name: Dichapetalin J
RN: 876610-27-4
InChIKey: KOTGYKATMONDCA-YZSQOBSSSA-N

Molecular Formula

  • C39-H52-O7

Molecular Weight

  • 632.8328
 
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Names and Synonyms

Results Name

  • Dichapetalin J

Synonym

  • Dichapetalin J

Systematic Name

  • 14,18-Cyclocholesta-2,24-dieno(4,3-c)pyran-21-oic acid, 2',4,5',6'-tetrahydro-7,12,23,26-tetrahydroxy-6'-(4-methoxyphenyl)-4,8-dimethyl-, gamma-lactone, (4alpha,5alpha,6'alpha,7alpha,12beta,13alpha,17alpha,20S,23R,24E)-

Registry Numbers

CAS Registry Number

  • 876610-27-4

System Generated Number

  • 0876610274

Structure Descriptors

InChI

1S/C39H52O7/c1-22(19-40)14-26-16-27(34(43)46-26)28-11-13-38-20-39(28,38)33(42)18-31-35(2)12-10-24-15-29(23-6-8-25(44-5)9-7-23)45-21-36(24,3)30(35)17-32(41)37(31,38)4/h6-10,14,26-33,40-42H,11-13,15-21H2,1-5H3/b22-14+/t26-,27-,28-,29-,30+,31+,32+,33+,35-,36-,37-,38+,39+/m0/s1

InChIKey

KOTGYKATMONDCA-YZSQOBSSSA-N

Smiles

COc1ccc(cc1)[C@@H]2CC3=CC[C@@]4(C)[C@@H](C[C@@H](O)[C@]5(C)[C@@H]4C[C@@H](O)[C@]67C[C@]56CC[C@H]7[C@@H]8C[C@@H](OC8=O)\C=C(/C)\CO)[C@@]3(C)CO2