(Q105188420)

English

(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2S,3S,5R)-5-ethyl-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol

chemical compound

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instance of

type of chemical entity

0 references

1 reference

446.37599546 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₅₀O₃

0 references

canonical SMILES

OC1C=C2CC(O)CCC2(C)C3CCC4(C)C(CCC4C13)C(C)C(O)CC(CC)C(C)C

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isomeric SMILES

CC[C@H](C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C

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found in taxon

Ligularia dolichobotrys

1 reference

stated in

Coniferyl and sinapyl alcohol derivatives from Ligularia duciformis

Identifiers

InChI

InChI=1S/C29H50O3/c1-7-19(17(2)3)14-25(31)18(4)22-8-9-23-27-24(11-13-29(22,23)6)28(5)12-10-21(30)15-20(28)16-26(27)32/h16-19,21-27,30-32H,7-15H2,1-6H3/t18-,19+,21-,22+,23-,24-,25-,26+,27-,28-,29+/m0/s1

0 references

InChIKey

NZSAHCYFUVNLPX-OPDUCIPESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NZSAHCYFUVNLPX-OPDUCIPESA-N

(Q105188420)

(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2S,3S,5R)-5-ethyl-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol

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