(Q105016974)

English

[(3S,4aR,6aR,6bS,7S,8aR,12aS,14aR,14bR)-7-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(7-Hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl) 3-(4-methoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

602.433510336 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₅₈O₄

0 references

canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CC=C4C5CC(C)(C)CCC5(C)CC(O)C43C)C1(C)C)C=CC6=CC=C(OC)C=C6

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isomeric SMILES

COc1ccc(/C=C/C(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@H]5CC(C)(C)CC[C@]5(C)C[C@H](O)[C@]34C)C2(C)C)cc1

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found in taxon

Rhizophora mucronata

1 reference

stated in

Triterpenoids from the stem bark of Rhizophora mucronata

Identifiers

InChI

InChI=1S/C40H58O4/c1-35(2)22-23-37(5)25-32(41)40(8)28(29(37)24-35)15-16-31-38(6)20-19-33(36(3,4)30(38)18-21-39(31,40)7)44-34(42)17-12-26-10-13-27(43-9)14-11-26/h10-15,17,29-33,41H,16,18-25H2,1-9H3/b17-12+/t29-,30+,31-,32+,33+,37-,38+,39-,40+/m1/s1

0 references

InChIKey

GSAYJUUAGNZUJK-GPAJYWALSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GSAYJUUAGNZUJK-GPAJYWALSA-N

(Q105016974)

[(3S,4aR,6aR,6bS,7S,8aR,12aS,14aR,14bR)-7-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate

Statements

Identifiers

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