(Q105322812)

English

(1S,8S,10S,13S,14S,17R)-17-[(2S,3R,5R)-5-ethyl-3-hydroxy-6-methylheptan-2-yl]-1-hydroxy-10,13-dimethyl-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

17-(5-Ethyl-3-hydroxy-6-methylheptan-2-yl)-1-hydroxy-10,13-dimethyl-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from SMILES

mass

442.344695332 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₆O₃

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canonical SMILES

O=C1C=C2CCC3C(=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]3CCC4=CC(=O)C[C@H](O)[C@]4(C)C3=CC[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/C29H46O3/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/h12,15,17-19,22-24,26-27,31-32H,7-11,13-14,16H2,1-6H3/t18-,19+,22-,23+,24-,26+,27-,28+,29-/m0/s1

0 references

InChIKey

WYYJPXGEABMVGW-CDZAHOLJSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105322812)

(1S,8S,10S,13S,14S,17R)-17-[(2S,3R,5R)-5-ethyl-3-hydroxy-6-methylheptan-2-yl]-1-hydroxy-10,13-dimethyl-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

Statements

Identifiers

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