(Q105276709)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

486.298139064 dalton

1 reference

2 references

inferred from InChIKey

1 reference

C₂₉H₄₂O₆

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canonical SMILES

O=C(O)C(C(=C)CCC(C)C1CCC2C3=C(C(=O)CC21C)C4(C)CCC(=O)C(O)(C)C4CC3O)C

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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@](C)(O)[C@H]1C[C@@H]3O)[C@@H](C)C(=O)O

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found in taxon

Taiwanofungus camphoratus

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stated in

Biologically active constituents from the fruiting body of Taiwanofungus camphoratus

Identifiers

InChI

InChI=1S/C29H42O6/c1-15(17(3)26(33)34)7-8-16(2)18-9-10-19-24-20(30)13-22-27(4,12-11-23(32)29(22,6)35)25(24)21(31)14-28(18,19)5/h16-20,22,30,35H,1,7-14H2,2-6H3,(H,33,34)/t16-,17-,18-,19-,20+,22+,27+,28-,29-/m1/s1

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InChIKey

UPCGWWQEYSWYOT-BUOIOREZSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105276709)

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

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