(Q105251356)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

1-(5-ethyl-3-hydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-5,5a,7,9-tetrol

1 reference

based on heuristic

inferred from SMILES

mass

480.381474764 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₅₂O₅

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canonical SMILES

OC1CC(O)C2(C)C3CCC4(C)C(CCC4C3CC(O)C2(O)C1)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]3C[C@@H](O)[C@@]4(O)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

2 references

stated in

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

stated in

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

Identifiers

InChI

InChI=1S/C29H52O5/c1-7-18(16(2)3)12-24(31)17(4)21-8-9-22-20-14-26(33)29(34)15-19(30)13-25(32)28(29,6)23(20)10-11-27(21,22)5/h16-26,30-34H,7-15H2,1-6H3/t17-,18+,19-,20-,21+,22-,23-,24+,25-,26+,27+,28-,29-/m0/s1

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InChIKey

SENGWVUFOJLNFP-VYTCEXIHSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

SENGWVUFOJLNFP-VYTCEXIHSA-N

1 reference

(Q105251356)

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

Statements

Identifiers

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