(Q105021589)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

mass

472.318874508 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

1 reference

C₂₉H₄₄O₅

0 references

canonical SMILES

O=C(O)C(C(=C)CCC(C)C1CCC2C3=C(C(=O)CC21C)C4(C)CCC(O)C(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)CC[C@@H](O)[C@@H](C)[C@@H]1C[C@@H]3O)[C@@H](C)C(=O)O

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found in taxon

Taiwanofungus camphoratus

1 reference

stated in

Biologically active constituents from the fruiting body of Taiwanofungus camphoratus

Identifiers

InChI

InChI=1S/C29H44O5/c1-15(17(3)27(33)34)7-8-16(2)19-9-10-20-25-23(31)13-21-18(4)22(30)11-12-28(21,5)26(25)24(32)14-29(19,20)6/h16-23,30-31H,1,7-14H2,2-6H3,(H,33,34)/t16-,17-,18+,19-,20+,21+,22-,23+,28+,29-/m1/s1

0 references

InChIKey

GVRZLCAYCZTYBS-WJKQHMNZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GVRZLCAYCZTYBS-WJKQHMNZSA-N

(Q105021589)

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

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Identifiers

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