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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > diterpenoid > diterpene glycoside > (2r,3r,4s,5s,6r)-2-[[7-[[(2r,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-2-ethenyl-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3h-phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > diterpene glycoside > (2r,3r,4s,5s,6r)-2-[[7-[[(2r,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-2-ethenyl-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3h-phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > terpene glycoside > diterpene glycoside > (2r,3r,4s,5s,6r)-2-[[7-[[(2r,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-2-ethenyl-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3h-phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > terpene glycoside > diterpene glycoside > (2r,3r,4s,5s,6r)-2-[[7-[[(2r,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-2-ethenyl-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3h-phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > terpene glycoside > diterpene glycoside > (2r,3r,4s,5s,6r)-2-[[7-[[(2r,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-2-ethenyl-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3h-phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Preferred term

(2r,3r,4s,5s,6r)-2-[[7-[[(2r,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-2-ethenyl-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3h-phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C31H50O11

inchi

  • InChI=1S/C31H50O11/c1-6-30(4)12-15-7-8-19-29(2,3)20(41-27-25(37)23(35)18(14-33)40-27)9-10-31(19,5)16(15)11-21(30)42-28-26(38)24(36)22(34)17(13-32)39-28/h6,12,16-28,32-38H,1,7-11,13-14H2,2-5H3/t16?,17-,18+,19?,20?,21?,22-,23+,24+,25-,26-,27+,28+,30?,31?/m1/s1

inchikey

  • KOOFWUOQNYFDJY-KWFCYANNSA-N

mass

  • 598.723

monoisotopicmass

  • 598.33531

smiles

  • CC1(C2CCC3=CC(C(CC3C2(CCC1O[C@H]4[C@@H]([C@H]([C@@H](O4)CO)O)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)(C)C=C)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:93821

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