(Q105384513)

English

(1S,2S,8aR)-4',5',7-trihydroxy-2,4b,8,8,10a-pentamethylspiro[2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1,2'-3H-1-benzofuran]-7'-carbaldehyde

group of stereoisomers with the chemical formula C₂₇H₃₈O₅

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Statements

group of stereoisomers

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isocopalane diterpenoid

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isocopalane diterpenoid

grisan-type benzofuranoid

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grisan-type benzofuranoid

442.2719243159999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₇H₃₈O₅

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canonical SMILES

O=CC1=CC(O)=C(O)C2=C1OC3(C2)C(C)CCC4C5(C)CCC(O)C(C)(C)C5CCC43C

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isomeric SMILES

C[C@H]1CCC2C3(C)CCC(O)C(C)(C)[C@@H]3CCC2(C)[C@]12Cc1c(O)c(O)cc(C=O)c1O2

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Identifiers

InChI=1S/C27H38O5/c1-15-6-7-20-25(4)10-9-21(30)24(2,3)19(25)8-11-26(20,5)27(15)13-17-22(31)18(29)12-16(14-28)23(17)32-27/h12,14-15,19-21,29-31H,6-11,13H2,1-5H3/t15-,19-,20?,21?,25?,26?,27-/m0/s1

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ZVQININUIPKADP-DEWOKFCPSA-N

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1 reference

based on heuristic

inferred from InChIKey

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