(Q105221199)

English

(2R,6R)-7-hydroxy-2-[(5R,10S,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

7-Hydroxy-2-(15-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-6-methyl-5-methylideneheptanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

500.350174636 dalton

1 reference

1 reference

C₃₁H₄₈O₅

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canonical SMILES

O=C(O)C(CCC(=C)C(C)CO)C1CC(O)C2(C3=C(CCC12C)C4(C)CCC(=O)C(C)(C)C4CC3)C

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isomeric SMILES

C=C(CC[C@@H](C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)[C@@H](C)CO

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found in taxon

Fomitopsis officinalis

1 reference

stated in

Four new triterpenes from fungus of Fomes officinalis

Identifiers

InChI

InChI=1S/C31H48O5/c1-18(19(2)17-32)8-9-20(27(35)36)23-16-26(34)31(7)22-10-11-24-28(3,4)25(33)13-14-29(24,5)21(22)12-15-30(23,31)6/h19-20,23-24,26,32,34H,1,8-17H2,2-7H3,(H,35,36)/t19-,20+,23+,24-,26-,29+,30+,31+/m0/s1

0 references

InChIKey

QHXWUJIUYIBLAR-NABYPERTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QHXWUJIUYIBLAR-NABYPERTSA-N

(Q105221199)

(2R,6R)-7-hydroxy-2-[(5R,10S,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid

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Identifiers

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