(Q104955788)

English

[(3S,5R,10S,13R,14R,15S,17R)-15-acetyloxy-17-[(1S)-1-[(2S,6S)-6-hydroxy-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethyl]-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[15-acetyloxy-17-[1-(6-hydroxy-5-methyl-3,6-dihydro-2H-pyran-2-yl)ethyl]-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

554.36073932 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₅₀O₆

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canonical SMILES

O=C(OC1CCC2(C3=CCC4(C)C(CC(OC(=O)C)C4(C3=CCC2C1(C)C)C)C(C)C5OC(O)C(=CC5)C)C)C

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isomeric SMILES

CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)[C@@H]5CC=C(C)[C@@H](O)O5)C[C@H](OC(C)=O)[C@@]4(C)C3=CC[C@H]2C1(C)C

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found in taxon

Perenniporia ochroleuca

1 reference

stated in

Perenniporiol derivatives six triterpenoids from the cultured mycelia of Perenniporia ochroleuca

Truncospora ochroleuca

1 reference

stated in

Perenniporiol derivatives six triterpenoids from the cultured mycelia of Perenniporia ochroleuca

Identifiers

InChI

InChI=1S/C34H50O6/c1-19-10-12-26(40-30(19)37)20(2)25-18-29(39-22(4)36)34(9)24-11-13-27-31(5,6)28(38-21(3)35)15-16-32(27,7)23(24)14-17-33(25,34)8/h10-11,14,20,25-30,37H,12-13,15-18H2,1-9H3/t20-,25+,26-,27-,28-,29-,30-,32+,33+,34+/m0/s1

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InChIKey

CEKTUVAMOQFRBU-GJJBKOPRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CEKTUVAMOQFRBU-GJJBKOPRSA-N

(Q104955788)

[(3S,5R,10S,13R,14R,15S,17R)-15-acetyloxy-17-[(1S)-1-[(2S,6S)-6-hydroxy-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethyl]-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

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