(Q105163755)

English

(2R,3S,5R)-3-[(3S,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-(2-methylprop-1-enyl)oxolan-2-ol

chemical compound

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instance of

type of chemical entity

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subclass of

3-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,5H,5aH,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl}-5-(2-methylprop-1-en-1-yl)oxolan-2-ol

1 reference

based on heuristic

inferred from SMILES

(3S,5R)-3-[(1S,3aS,5aR,7S,9aR,9bR,11aS)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,5H,5aH,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl]-5-(2-methylprop-1-en-1-yl)oxolan-2-ol

1 reference

based on heuristic

inferred from SMILES

mass

456.360345396 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,3S,5R)-3-[(3R,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-(2-methylprop-1-enyl)oxolan-2-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2S,3S,5R)-3-[(3S,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-(2-methylprop-1-enyl)oxolan-2-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₈O₃

0 references

canonical SMILES

OC1OC(C=C(C)C)CC1C2CCC3(C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC23C)C

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isomeric SMILES

CC(C)=C[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]23C)[C@H](O)O1

0 references

found in taxon

Luvunga sarmentosa

1 reference

stated in

Apotirucallane and Tirucallane triterpenoids from Luvunga sarmentosa

Identifiers

InChI

InChI=1S/C30H48O3/c1-18(2)16-19-17-20(26(32)33-19)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,16,19-22,24-26,31-32H,9-15,17H2,1-7H3/t19-,20-,21-,22-,24-,25-,26+,28+,29-,30+/m0/s1

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InChIKey

MHEJELVRECHHAF-QQGOGAOKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MHEJELVRECHHAF-QQGOGAOKSA-N

1 reference

(Q105163755)

(2R,3S,5R)-3-[(3S,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-(2-methylprop-1-enyl)oxolan-2-ol

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