(Q105219871)

English

[(3S,4S,5S,10S,13R,14R,17R)-17-[(2R)-5-ethyl-6-methylhept-5-en-2-yl]-4,10,13,14-tetramethyl-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] hexadecanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[17-(5-Ethyl-6-methylhept-5-en-2-yl)-4,10,13,14-tetramethyl-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] hexadecanoate

1 reference

based on heuristic

inferred from SMILES

mass

678.631481864 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₇H₈₂O₂

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canonical SMILES

O=C(OC1CCC2(C3=C(CCC2C1C)C4(C)CCC(C(C)CCC(=C(C)C)CC)C4(C)CC3)C)CCCCCCCCCCCCCCC

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isomeric SMILES

CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2[C@@H]1C)[C@]1(C)CC[C@H]([C@H](C)CCC(CC)=C(C)C)[C@@]1(C)CC3

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found in taxon

Goniophlebium mengtzeense

1 reference

stated in

Triterpenoids from the fern Goniophlebium mengtzeense

Identifiers

InChI

InChI=1S/C47H82O2/c1-10-12-13-14-15-16-17-18-19-20-21-22-23-24-44(48)49-43-31-32-45(7)40(37(43)6)27-28-42-41(45)30-34-46(8)39(29-33-47(42,46)9)36(5)25-26-38(11-2)35(3)4/h36-37,39-40,43H,10-34H2,1-9H3/t36-,37+,39-,40+,43+,45+,46-,47+/m1/s1

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InChIKey

QFZZNNPCGDKWFS-WWQQAMEMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QFZZNNPCGDKWFS-WWQQAMEMSA-N

(Q105219871)

[(3S,4S,5S,10S,13R,14R,17R)-17-[(2R)-5-ethyl-6-methylhept-5-en-2-yl]-4,10,13,14-tetramethyl-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] hexadecanoate

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Identifiers

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