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Substance Name: NSC 336793
RN: 41568-95-0
InChIKey: UUDRJPRIBMGADE-YNOQIDMFSA-N

Molecular Formula

  • C32-H42-O8

Molecular Weight

  • 554.6758
 
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Names and Synonyms

Results Name

  • NSC 336793

Synonym

  • NSC 336793

Systematic Name

  • 2,4,6-Decatrienoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-

Registry Numbers

CAS Registry Number

  • 41568-95-0

System Generated Number

  • 0041568950

Structure Descriptors

InChI

1S/C32H42O8/c1-7-8-9-10-11-12-13-14-25(35)39-28-20(3)31(38)23(26-29(5,6)32(26,28)40-21(4)34)16-22(18-33)17-30(37)24(31)15-19(2)27(30)36/h9-16,20,23-24,26,28,33,37-38H,7-8,17-18H2,1-6H3/b10-9+,12-11+,14-13+/t20-,23+,24-,26-,28-,30-,31-,32-/m1/s1

InChIKey

UUDRJPRIBMGADE-YNOQIDMFSA-N

Smiles

CCC\C=C\C=C\C=C\C(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@@]3(O)[C@H]2C=C(C)C3=O)[C@@H]4C(C)(C)[C@]14OC(=O)C