(Q105173157)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

1 reference

444.360345396 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₈O₃

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canonical SMILES

OC1C=C2C=CC3C(CCC4(C)C3CCC4C(C)C(O)CC(CC)C(C)C)C2(C)C(O)C1

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isomeric SMILES

CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C)C(C)C

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found in taxon

Haloxylon recurvum

1 reference

stated in

Isolation and cholinesterase-inhibition studies of sterols from Haloxylon recurvum.

Identifiers

InChI

InChI=1S/C29H48O3/c1-7-19(17(2)3)14-26(31)18(4)23-10-11-24-22-9-8-20-15-21(30)16-27(32)29(20,6)25(22)12-13-28(23,24)5/h8-9,15,17-19,21-27,30-32H,7,10-14,16H2,1-6H3/t18-,19+,21+,22-,23+,24-,25-,26+,27-,28+,29-/m0/s1

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InChIKey

MVMHIMFXUANMIR-YTMHLXEESA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MVMHIMFXUANMIR-YTMHLXEESA-N

(Q105173157)

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

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Identifiers

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