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Substance Name: Ingenol
RN: 30220-46-3
UNII: IC77UZI9G8
InChIKey: VEBVPUXQAPLADL-POYOOMFHSA-N

Molecular Formula

  • C20-H28-O5

Molecular Weight

  • 348.4362
 
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Names and Synonyms

Name of Substance

  • Ingenol

Synonym

  • UNII-IC77UZI9G8

Systematic Name

  • 1aalpha,2alpha,5beta,5abeta,6beta,beta,9 alpha, 10,10aalpha-Octahydro-5,5a,6-trihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-1H-2,8aalpha-methano cyclopenta(a)cyclopropa(e)cyclodecen-11-one

Registry Numbers

CAS Registry Number

  • 30220-46-3

FDA UNII

  • IC77UZI9G8

System Generated Number

  • 0030220463

Structure Descriptors

InChI

1S/C20H28O5/c1-9-7-19-10(2)5-13-14(18(13,3)4)12(17(19)24)6-11(8-21)16(23)20(19,25)15(9)22/h6-7,10,12-16,21-23,25H,5,8H2,1-4H3/t10-,12+,13-,14+,15+,16-,19+,20-/m1/s1

InChIKey

VEBVPUXQAPLADL-POYOOMFHSA-N

Smiles

C1=C([C@@H]([C@@]2([C@@]31[C@@H](C[C@@H]1[C@H]([C@H](C=C([C@H]2O)CO)C3=O)[C@]1(C)C)C)O)O)C