(Q105285010)

English

(5aR,9aS)-10-hydroxy-1-(hydroxymethyl)-11-methoxy-6,6,9a-trimethyl-1H,4H,5H,5aH,8H,9H-phenanthro[1,2-c]furan-3,7-dione

group of stereoisomers with the chemical formula C₂₁H₂₆O₆

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Statements

group of stereoisomers

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cassane diterpenoid

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cassane diterpenoid

374.172938552 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₁H₂₆O₆

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canonical SMILES

O=C1OC(C2=C(OC)C(O)=C3C(=C12)CCC4C(C(=O)CCC34C)(C)C)CO

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isomeric SMILES

COc1c(O)c2c(c3c1C(CO)OC3=O)CC[C@H]1C(C)(C)C(=O)CC[C@]21C

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Identifiers

InChI=1S/C21H26O6/c1-20(2)12-6-5-10-14-15(11(9-22)27-19(14)25)18(26-4)17(24)16(10)21(12,3)8-7-13(20)23/h11-12,22,24H,5-9H2,1-4H3/t11?,12-,21-/m0/s1

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VFAWCZCJUTVMRS-DCNBDAKASA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

VFAWCZCJUTVMRS-DCNBDAKASA-N

UniChem compound ID

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