(Q105341188)

English

(5R,8R,9S,10R,13R,14R,17S)-17-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Dammaran-3-one,20,24-epoxy-25-hydroxy-, (20R,24S)-(8CI,9CI)

1 reference

based on heuristic

inferred from SMILES

(1S,3aS,3bR,9aR,9bR)-1-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-dodecahydrocyclopenta[a]phenanthren-7-one

1 reference

based on heuristic

inferred from SMILES

mass

458.37599546 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(5R,8R,9S,10R,13R,14R,17S)-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(5R,8R,9R,10R,13S,14R,17R)-17-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

2 references

based on heuristic

inferred from InChIKey

1 reference

C₃₀H₅₀O₃

0 references

canonical SMILES

O=C1CCC2(C)C(CCC3(C)C2CCC4C(CCC43C)C5(OC(CC5)C(O)(C)C)C)C1(C)C

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isomeric SMILES

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

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found in taxon

Amphipterygium adstringens

1 reference

stated in

Tirucallane-type triterpenes from Juliania adstringens

Identifiers

InChI

InChI=1S/C30H50O3/c1-25(2)21-12-17-29(7)22(27(21,5)15-13-23(25)31)10-9-19-20(11-16-28(19,29)6)30(8)18-14-24(33-30)26(3,4)32/h19-22,24,32H,9-18H2,1-8H3/t19-,20+,21+,22+,24+,27+,28-,29-,30-/m1/s1

0 references

InChIKey

XSQYWMLMQVUWSF-UOAUUATESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XSQYWMLMQVUWSF-UOAUUATESA-N

(Q105341188)

(5R,8R,9S,10R,13R,14R,17S)-17-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

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Identifiers

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