(Q104950498)

English

[(3S,4S,5S,10S,13R,14R,17R)-17-[(2R,5R)-5,6-dimethylhept-6-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] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[17-(5,6-Dimethylhept-6-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] acetate

1 reference

based on heuristic

inferred from SMILES

mass

468.396730904 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₅₂O₂

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canonical SMILES

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

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isomeric SMILES

C=C(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)[C@@H](C)[C@@H]1CC3

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found in taxon

Goniophlebium mengtzeense

1 reference

stated in

Triterpenoids from the fern Goniophlebium mengtzeense

Identifiers

InChI

InChI=1S/C32H52O2/c1-20(2)21(3)10-11-22(4)25-14-18-32(9)28-13-12-26-23(5)29(34-24(6)33)16-17-30(26,7)27(28)15-19-31(25,32)8/h21-23,25-26,29H,1,10-19H2,2-9H3/t21-,22-,23+,25-,26+,29+,30+,31-,32+/m1/s1

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InChIKey

BZJUWCNFZPOIQV-RRXZNHPTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BZJUWCNFZPOIQV-RRXZNHPTSA-N

(Q104950498)

[(3S,4S,5S,10S,13R,14R,17R)-17-[(2R,5R)-5,6-dimethylhept-6-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] acetate

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Identifiers

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