(Q105266054)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

[17-[5-(2-acetyloxypropan-2-yl)-2-methyloxolan-2-yl]-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

560.407689512 dalton

1 reference

1 reference

C₃₄H₅₆O₆

0 references

canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CC(O)C4C(CCC43C)C5(OC(CC5)C(OC(=O)C)(C)C)C)C1(C)C)C

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isomeric SMILES

CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3C[C@@H](O)[C@@H]4[C@@H]([C@@]5(C)CC[C@@H](C(C)(C)OC(C)=O)O5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C

0 references

found in taxon

Pyxine endochrysina

1 reference

stated in

Diacetylpyxinol, a triterpene alcohol from a lichen: Pyxine endochrysina nyl

Identifiers

InChI

InChI=1S/C34H56O6/c1-20(35)38-26-13-15-31(7)24(29(26,3)4)12-17-32(8)25(31)19-23(37)28-22(11-16-33(28,32)9)34(10)18-14-27(40-34)30(5,6)39-21(2)36/h22-28,37H,11-19H2,1-10H3/t22-,23+,24-,25-,26-,27-,28-,31-,32+,33+,34+/m0/s1

0 references

InChIKey

TWRWTOXPYGQKPW-LWCLPJMNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

TWRWTOXPYGQKPW-LWCLPJMNSA-N

(Q105266054)

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

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Identifiers

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