(Q105241292)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

17-[5-Hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from SMILES

mass

472.355260016 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₈O₄

0 references

canonical SMILES

O=C1CCC2(C)C3C(=CCC2C1(C)C)C4(C)CCC(C5COC(C(O)C5)C(O)(C)C)C4(C)CC3

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isomeric SMILES

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

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found in taxon

Trichilia hispida

1 reference

stated in

Constituents of Trichilia hispida (Meliaceae). 2. A new triterpenoid, hispidone, and bourjotinolone A

Identifiers

InChI

InChI=1S/C30H48O4/c1-26(2)23-9-8-21-20(28(23,5)13-12-24(26)32)11-15-29(6)19(10-14-30(21,29)7)18-16-22(31)25(34-17-18)27(3,4)33/h8,18-20,22-23,25,31,33H,9-17H2,1-7H3/t18-,19+,20+,22-,23-,25+,28-,29+,30-/m1/s1

0 references

InChIKey

RNETYSXHFSDFMM-IDBNLLBVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RNETYSXHFSDFMM-IDBNLLBVSA-N

(Q105241292)

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

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