(Q105144948)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

methyl 6-(7-hydroxy-4,10,13-trimethyl-3,11-dioxo-2,4,5,6,7,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-3-methylideneheptanoate

1 reference

based on heuristic

inferred from SMILES

mass

484.318874508 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₄O₅

0 references

canonical SMILES

O=C1C2=C(C(O)CC3C(C(=O)CCC23C)C)C4CCC(C(C)CCC(=C)C(C(=O)OC)C)C4(C)C1

0 references

isomeric SMILES

C=C(CC[C@@H](C)[C@H]1CC[C@@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@H]1C[C@@H]3O)[C@H](C)C(=O)OC

0 references

found in taxon

Taiwanofungus camphoratus

1 reference

stated in

Biologically active constituents from the fruiting body of Taiwanofungus camphoratus

Identifiers

InChI

InChI=1S/C30H44O5/c1-16(18(3)28(34)35-7)8-9-17(2)20-10-11-21-26-24(32)14-22-19(4)23(31)12-13-29(22,5)27(26)25(33)15-30(20,21)6/h17-22,24,32H,1,8-15H2,2-7H3/t17-,18+,19+,20-,21-,22-,24+,29+,30-/m1/s1

0 references

InChIKey

KREJDSDDOCJSGN-LSPFERMISA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105144948)

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

Statements

Identifiers

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