(Q104985889)

English

(3R,5R,8R,9R,10R,12R,13S,14R,17S)-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol

chemical compound

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instance of

type of chemical entity

0 references

1 reference

476.386560144 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(20S)-Protopanaxadiol metabolite M1-2

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3R,5R,8R,9R,10R,12R,13S,14R,17R)-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3S,5R,8R,9S,10R,12R,13R,14R,17S)-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3R,5R,8R,9S,10R,12R,13S,14R,17S)-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol

2 references

based on heuristic

inferred from InChIKey

1 reference

(3R,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol

1 reference

1 reference

C₃₀H₅₂O₄

0 references

canonical SMILES

OC1CC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C4(C)CCC(C14)C5(OC(CC5)C(O)(C)C)C

0 references

isomeric SMILES

CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1

0 references

found in taxon

Betula pendula

2 references

stated in

Triterpenoids of the outer bark ofBetula maximowicziana

stated in

Glycosylation of triterpenoids of the dammarane series. IV. ?-D-glucopyranosides of betulafolienetriol and its derivatives

Betula platyphylla

1 reference

stated in

Glycosylation of triterpenoids of the dammarane series. IV. ?-D-glucopyranosides of betulafolienetriol and its derivatives

Identifiers

InChI

InChI=1S/C30H52O4/c1-25(2)20-10-15-28(6)21(27(20,5)13-11-22(25)32)17-19(31)24-18(9-14-29(24,28)7)30(8)16-12-23(34-30)26(3,4)33/h18-24,31-33H,9-17H2,1-8H3/t18-,19+,20-,21+,22+,23+,24+,27-,28+,29+,30-/m0/s1

0 references

InChIKey

DOAJFZJEGHSYOI-XFBVNOIUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DOAJFZJEGHSYOI-XFBVNOIUSA-N

(Q104985889)

(3R,5R,8R,9R,10R,12R,13S,14R,17S)-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol

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