(Q104915895)

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] acetate

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] acetate

1 reference

based on heuristic

inferred from SMILES

mass

482.412380968 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₅₄O₂

0 references

canonical SMILES

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

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isomeric SMILES

CCC(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)=C(C)C

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found in taxon

Goniophlebium mengtzeense

1 reference

stated in

Triterpenoids from the fern Goniophlebium mengtzeense

Identifiers

InChI

InChI=1S/C33H54O2/c1-10-25(21(2)3)12-11-22(4)26-15-19-33(9)29-14-13-27-23(5)30(35-24(6)34)17-18-31(27,7)28(29)16-20-32(26,33)8/h22-23,26-27,30H,10-20H2,1-9H3/t22-,23+,26-,27+,30+,31+,32-,33+/m1/s1

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InChIKey

AOQUZRKROIUMCC-NGZWWUIYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AOQUZRKROIUMCC-NGZWWUIYSA-N

(Q104915895)

[(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] acetate

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Identifiers

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