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Substance Name: (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,15-Dihydroxy-3-((1E)-1-((1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl)-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(prop-2-en-1-yl)-3,4,5,6,11,12,13,14,15,16,17,18,24,25,26,26a-hexadecahydro-7H-pyrido(2,1-C)(1,4)oxaazacyclotricosine-1,7,19,20,21(8H,23H)-pentone
RN: 1393890-33-9
UNII: CJ99AS37NC
InChIKey: ZPKGWFOANXPORW-RCRFZRKUSA-N

Molecular Formula

  • C44-H69-N-O12

Molecular Weight

  • 804.0182
 
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Names and Synonyms

Name of Substance

  • (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,15-Dihydroxy-3-((1E)-1-((1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl)-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(prop-2-en-1-yl)-3,4,5,6,11,12,13,14,15,16,17,18,24,25,26,26a-hexadecahydro-7H-pyrido(2,1-C)(1,4)oxaazacyclotricosine-1,7,19,20,21(8H,23H)-pentone

Synonym

  • UNII-CJ99AS37NC

Registry Numbers

CAS Registry Number

  • 1393890-33-9

FDA UNII

  • CJ99AS37NC

System Generated Number

  • 1393890339

Structure Descriptors

InChI

1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(55-8)40(50)38(56-9)22-27(4)39(49)41(51)43(52)45-17-12-11-14-32(45)44(53)57-42(29(6)34(47)24-35(31)48)28(5)21-30-15-16-33(46)36(23-30)54-7/h10,19,21,26-27,29-34,36-38,40,42,46-47,50H,1,11-18,20,22-24H2,2-9H3/b25-19+,28-21+/t26-,27+,29+,30-,31+,32-,33+,34-,36+,37-,38-,40+,42+/m0/s1

InChIKey

ZPKGWFOANXPORW-RCRFZRKUSA-N

Smiles

CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)\[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)C(=O)[C@H](C)C[C@H](OC)[C@H](O)[C@H](C[C@@H](C)C\C(=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]2C)\C)OC