(Q105344859)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

2-(3,15-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-methyl-5-methylideneheptanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

486.37091008 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

1 reference

C₃₁H₅₀O₄

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canonical SMILES

O=C(O)C(CCC(=C)C(C)C)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)CC[C@@H](O)C(C)(C)[C@@H]1CC3)C(C)C

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found in taxon

Laetiporus sulphureus

1 reference

stated in

Constituents of Laetiporus versisporus

Laetiporus versisporus

1 reference

stated in

Constituents of Laetiporus versisporus

Identifiers

InChI

InChI=1S/C31H50O4/c1-18(2)19(3)9-10-20(27(34)35)23-17-26(33)31(8)22-11-12-24-28(4,5)25(32)14-15-29(24,6)21(22)13-16-30(23,31)7/h18,20,23-26,32-33H,3,9-17H2,1-2,4-8H3,(H,34,35)/t20-,23+,24+,25-,26+,29-,30-,31-/m1/s1

0 references

InChIKey

XZEKQUYJGSOILA-HBVJFCPOSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105344859)

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

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Identifiers

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