(Q105323337)

English

[(3S,5R,8R,9R,10R,13R,14R,17S)-17-[(2S,5R)-2,5-dimethyl-5-(2-methylbutan-2-yl)oxolan-2-yl]-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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Statements

instance of

type of chemical entity

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subclass of

[17-[2,5-dimethyl-5-(2-methylbutan-2-yl)oxolan-2-yl]-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

528.45424578 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₆₀O₃

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canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CCC4C(CCC43C)C5(OC(C)(CC5)C(C)(C)CC)C)C1(C)C)C

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isomeric SMILES

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

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found in taxon

Pilocarpus spicatus

1 reference

stated in

24-methyl-25-ethyldammarane derivatives from Pilocarpus spicatus

Identifiers

InChI

InChI=1S/C35H60O3/c1-12-29(3,4)35(11)22-21-34(10,38-35)25-15-19-32(8)24(25)13-14-27-31(7)18-17-28(37-23(2)36)30(5,6)26(31)16-20-33(27,32)9/h24-28H,12-22H2,1-11H3/t24-,25+,26+,27-,28+,31+,32-,33-,34+,35-/m1/s1

0 references

InChIKey

WZNHAVSCNBJFAG-KPAMULQDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WZNHAVSCNBJFAG-KPAMULQDSA-N

(Q105323337)

[(3S,5R,8R,9R,10R,13R,14R,17S)-17-[(2S,5R)-2,5-dimethyl-5-(2-methylbutan-2-yl)oxolan-2-yl]-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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