(Q105191062)

English

(2R,3S,5S)-5-[(1S)-1-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-3-propan-2-yloxolan-2-ol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(22S, 24R)-24-methyllanosta-8-en-22,28-epoxy-3beta,28beta-diol

1 reference

based on heuristic

inferred from SMILES

5-[1-(3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl]-3-propan-2-yloxolan-2-ol

1 reference

based on heuristic

inferred from SMILES

mass

472.391645524 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(22S, 24R)-24-methyllanosta-8-en-22,28-epoxy-3beta,28alpha-diol

1 reference

based on heuristic

inferred from InChI

4,4,14-Trimethyl-22,28-epoxyergost-8-ene-3,28-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₅₂O₃

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canonical SMILES

OC1OC(CC1C(C)C)C(C)C2CCC3(C4=C(CCC23C)C5(C)CCC(O)C(C)(C)C5CC4)C

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isomeric SMILES

CC(C)[C@@H]1C[C@@H]([C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC4)O[C@H]1O

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found in taxon

Pisolithus arhizus

1 reference

stated in

Isolation and Characterization of Immunosuppressive Components of Three Mushrooms, Pisolithus tinctorius, Microporus flabelliformis and Lenzites betulina

Pisolithus tinctorius

1 reference

stated in

Isolation and Characterization of Immunosuppressive Components of Three Mushrooms, Pisolithus tinctorius, Microporus flabelliformis and Lenzites betulina

Identifiers

InChI

InChI=1S/C31H52O3/c1-18(2)20-17-24(34-27(20)33)19(3)21-11-15-31(8)23-9-10-25-28(4,5)26(32)13-14-29(25,6)22(23)12-16-30(21,31)7/h18-21,24-27,32-33H,9-17H2,1-8H3/t19-,20-,21+,24-,25-,26-,27+,29+,30+,31-/m0/s1

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InChIKey

OFHWJPCEKLTYRB-ZPUAKRLTSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105191062)

(2R,3S,5S)-5-[(1S)-1-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-3-propan-2-yloxolan-2-ol

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Identifiers

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