(Q105298176)

English

(2R)-2-[(3S,5S,7S,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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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Statements

instance of

type of chemical entity

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subclass of

2-[3-hydroxy-4,4,10,13,14-pentamethyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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

(2R)-2-[(3S,7R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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

648.4237335 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₇H₆₀O₉

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canonical SMILES

O=C(O)C(CCC(=C)C(C)C)C1CCC2(C3=C(CCC12C)C4(C)CCC(O)C(C)(C)C4CC3OC5OC(CO)C(O)C(O)C5O)C

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isomeric SMILES

C=C(CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1C[C@@H]3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)C

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found in taxon

Laetiporus versisporus

1 reference

stated in

New lanostanoid glycosides from the fruit body of laetiporus versisporus

Laetiporus sulphureus

1 reference

stated in

New lanostanoid glycosides from the fruit body of laetiporus versisporus

Identifiers

InChI

InChI=1S/C37H60O9/c1-19(2)20(3)9-10-21(32(43)44)22-11-16-37(8)28-23(12-15-36(22,37)7)35(6)14-13-27(39)34(4,5)26(35)17-24(28)45-33-31(42)30(41)29(40)25(18-38)46-33/h19,21-22,24-27,29-31,33,38-42H,3,9-18H2,1-2,4-8H3,(H,43,44)/t21-,22-,24+,25-,26-,27+,29-,30+,31-,33-,35-,36-,37+/m1/s1

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InChIKey

VWMVCDKDDCSCQH-HDBAIULKSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105298176)

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

Statements

Identifiers

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