Chemical Component Summary |
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Name | (1R,2S,4aS,4bS,8aS,10S,10aS)-2-[(2S)-3-methoxy-2-methyl-2-oxidanyl-3-oxidanylidene-propanoyl]-2,3,4b,8,8,10a-hexamethyl-10-oxidanyl-7,9-bis(oxidanylidene)-1,4a,5,6,8a,10-hexahydrophenanthrene-1-carboxylic acid |
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Identifiers | (1~{R},2~{S},4~{a}~{S},4~{b}~{S},8~{a}~{S},10~{S},10~{a}~{S})-2-[(2~{S})-3-methoxy-2-methyl-2-oxidanyl-3-oxidanylidene-propanoyl]-2,3,4~{b},8,8,10~{a}-hexamethyl-10-oxidanyl-7,9-bis(oxidanylidene)-1,4~{a},5,6,8~{a},10-hexahydrophenanthrene-1-carboxylic acid |
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Formula | C26 H36 O9 |
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Molecular Weight | 492.559 |
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Type | NON-POLYMER |
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Isomeric SMILES | CC1=C[C@H]2[C@@]3(CCC(=O)C([C@H]3C(=O)[C@H]([C@@]2([C@H]([C@]1(C)C(=O)[C@@](C)(C(=O)OC)O)C(=O)O)C)O)(C)C)C |
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InChI | InChI=1S/C26H36O9/c1-12-11-13-23(4)10-9-14(27)22(2,3)16(23)15(28)18(29)25(13,6)17(19(30)31)24(12,5)20(32)26(7,34)21(33)35-8/h11,13,16-18,29,34H,9-10H2,1-8H3,(H,30,31)/t13-,16+,17-,18+,23-,24+,25-,26-/m0/s1 |
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InChIKey | LIOASRYHIAHNQJ-MVORVNTJSA-N |
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