(Q105168347)

English

(3S,5R,6R,9S,10R,13R,14R,17R)-17-[(E,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5,6-triol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

24-ethylcholesta-7,22E-diene-3β,5α,6β-triol

1 reference

based on heuristic

inferred from SMILES

17-(5-Ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5,6-triol

1 reference

based on heuristic

inferred from SMILES

mass

444.360345396 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(22E)-5alpha-Stigmasta-7,22-diene-3beta,5,6beta-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(22E,24R)-24-Ethyl-5alpha-cholesta-7,22-diene-3beta,5alpha,6beta-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₈O₃

0 references

canonical SMILES

OC1C=C2C3CCC(C(C=CC(CC)C(C)C)C)C3(C)CCC2C4(C)CCC(O)CC14O

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isomeric SMILES

CC[C@H](/C=C/[C@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C

0 references

found in taxon

Russula brevipes

1 reference

stated in

Russulactarorufin, a lactarane skeleton sesquiterpene from Russula brevipes

Identifiers

InChI

InChI=1S/C29H48O3/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26(31)29(32)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h8-9,16,18-21,23-26,30-32H,7,10-15,17H2,1-6H3/b9-8+/t19-,20+,21-,23+,24-,25-,26+,27+,28+,29-/m0/s1

0 references

InChIKey

MNFRCFZQRZZFOY-KNXFMRPFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MNFRCFZQRZZFOY-KNXFMRPFSA-N

(Q105168347)

(3S,5R,6R,9S,10R,13R,14R,17R)-17-[(E,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5,6-triol

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Identifiers

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