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CAS 39156-67-7

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(5R,9R,11E,12aS,13S,15S,15aS,16S,18aS)-4,5,6,7,8,9,10,12a,13,14,15,15a,16,17-Tetradecahydro-5,13-dihydroxy-9,15-dimethyl-14-methylene-16-(phenylmethyl)-2H-oxacyclotetradecino[2,3-d]isoindole-2,18(3H)-dione

Description:
The chemical substance with the name "(5R,9R,11E,12aS,13S,15S,15aS,16S,18aS)-4,5,6,7,8,9,10,12a,13,14,15,15a,16,17-Tetradecahydro-5,13-dihydroxy-9,15-dimethyl-14-methylene-16-(phenylmethyl)-2H-oxacyclotetradecino[2,3-d]isoindole-2,18(3H)-dione" and CAS number "39156-67-7" is a complex organic compound characterized by its intricate polycyclic structure and multiple stereocenters, which contribute to its specific three-dimensional configuration. This compound features a tetradecahydro framework, indicating a saturated hydrocarbon backbone, along with hydroxyl groups that suggest potential for hydrogen bonding and reactivity. The presence of a phenylmethyl group indicates aromatic characteristics, which may influence its chemical behavior and interactions. Additionally, the compound's multiple methyl groups and a methylene bridge contribute to its overall hydrophobicity and steric hindrance. Such structural features may confer biological activity, making it of interest in medicinal chemistry and pharmacology. Its unique configuration and functional groups suggest potential applications in drug development or as a biochemical probe.
Formula:C29H39NO5
InChI:InChI=1/C29H39NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14,18-19,22-24,26-27,31,33H,3,7,9-10,13,15-17H2,1-2H3,(H,30,34)/b14-8+/t18-,19-,22+,23-,24-,26+,27+,29-/m0/s1
InChI key:InChIKey=WIULKAASLBZREV-RXPQEOCGSA-N
SMILES:O=C1[C@]23[C@]([C@H](CC4=CC=CC=C4)N1)([C@H](C)C(=C)[C@@H](O)[C@@]2(/C=C/C[C@H](C)CCC[C@@H](O)CCC(=O)O3)[H])[H]
Synonyms:
  • (11Z)-16-benzyl-5,13-dihydroxy-9,15-dimethyl-14-methylidene-4,5,6,7,8,9,10,12a,13,14,15,15a,16,17-tetradecahydro-2H-oxacyclotetradecino[2,3-d]isoindole-2,18(3H)-dione
  • (5R,9R,11E,12aS,13S,15R,15aR,16S,18aR)-16-benzyl-5,13-dihydroxy-9,15-dimethyl-14-methylidene-4,5,6,7,8,9,10,12a,13,14,15,15a,16,17-tetradecahydro-2H-oxacyclotetradecino[2,3-d]isoindole-2,18(3H)-dione
  • (5R,9R,11E,12aS,13S,15S,15aS,16S,18aS)-4,5,6,7,8,9,10,12a,13,14,15,15a,16,17-Tetradecahydro-5,13-dihydroxy-9,15-dimethyl-14-methylene-16-(phenylmethyl)-2H-oxacyclotetradecino[2,3-d]isoindole-2,18(3H)-dione
  • (5R,9S,11E,12aS,13S,15R,15aR,16S,18aR)-16-benzyl-5,13-dihydroxy-9,15-dimethyl-14-methylidene-4,5,6,7,8,9,10,12a,13,14,15,15a,16,17-tetradecahydro-2H-oxacyclotetradecino[2,3-d]isoindole-2,18(3H)-dione
  • (5S,9R,11E,12aS,13S,15R,15aR,16S,18aR)-16-benzyl-5,13-dihydroxy-9,15-dimethyl-14-methylidene-4,5,6,7,8,9,10,12a,13,14,15,15a,16,17-tetradecahydro-2H-oxacyclotetradecino[2,3-d]isoindole-2,18(3H)-dione
  • (5S,9R,11E,12aS,13S,15S,15aS,16S,18aS)-16-benzyl-5,13-dihydroxy-9,15-dimethyl-14-methylidene-4,5,6,7,8,9,10,12a,13,14,15,15a,16,17-tetradecahydro-2H-oxacyclotetradecino[2,3-d]isoindole-2,18(3H)-dione
  • (5S,9S,11E,12aS,13S,15R,15aR,16S,18aR)-16-benzyl-5,13-dihydroxy-9,15-dimethyl-14-methylidene-4,5,6,7,8,9,10,12a,13,14,15,15a,16,17-tetradecahydro-2H-oxacyclotetradecino[2,3-d]isoindole-2,18(3H)-dione
  • 16-benzyl-5,13-dihydroxy-9,15-dimethyl-14-methylidene-4,5,6,7,8,9,10,12a,13,14,15,15a,16,17-tetradecahydro-2H-oxacyclotetradecino[2,3-d]isoindole-2,18(3H)-dione
  • 21,22-Dihydrochalasin B
  • 21,22-Dihydrocytochalasan B
  • See more synonyms
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