(Q105329037)

English

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

chemical compound

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type of chemical entity

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1 reference

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

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

mass

440.401816284 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

1 reference

inferred from InChIKey

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

1 reference

1 reference

C₃₁H₅₂O

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canonical SMILES

OC1CCC2(C3=C(CCC2C1(C)C)C4(C)CCC(C(C)CCC(=C)C(C)C)C4(C)CC3)C

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isomeric SMILES

C=C(CC[C@@H](C)[C@H]1CC[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

Antrodia cinnamomea

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stated in

Constituents of Antrodia Cinnamomea

Taiwanofungus camphoratus

1 reference

stated in

Constituents of Antrodia Cinnamomea

Identifiers

InChI

InChI=1S/C31H52O/c1-20(2)21(3)10-11-22(4)23-14-18-31(9)25-12-13-26-28(5,6)27(32)16-17-29(26,7)24(25)15-19-30(23,31)8/h20,22-23,26-27,32H,3,10-19H2,1-2,4-9H3/t22-,23-,26+,27+,29-,30-,31-/m1/s1

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InChIKey

XJLZCPIILZRCPS-VAPIERHISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XJLZCPIILZRCPS-VAPIERHISA-N

(Q105329037)

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

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