(Q105163752)

English

(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

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-[(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

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

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found in taxon

Aucoumea klaineana

2 references

stated in

Tirucallane and oleanane triterpenes from the resin of Aucoumea klaineana

stated in

Tirucallane and oleanane triterpenes from the resin of Aucoumea klaineana

Flindersia dissosperma

1 reference

stated in

The chemical constituents of Australian Flindersia Species. X. The constituents of F. dissosperma (F. Muell.) Domin and its Relationship to F. maculosa (Lindl.) F. Muell

Flindersia maculosa

1 reference

stated in

The chemical constituents of Australian Flindersia Species. X. The constituents of F. dissosperma (F. Muell.) Domin and its Relationship to F. maculosa (Lindl.) F. Muell

Flindersia collina

1 reference

stated in

The chemical constituents of Australian Flindersia Species. X. The constituents of F. dissosperma (F. Muell.) Domin and its Relationship to F. maculosa (Lindl.) F. Muell

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

0 references

InChIKey

MHEJELVRECHHAF-DZYIAHKOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MHEJELVRECHHAF-DZYIAHKOSA-N

1 reference

(Q105163752)

(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

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