(Q105030035)

English

[(3S,4aR,6aR,6aS,8aR,12aR,14aR,14bS)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(4,4,6a,6a,8a,11,11,14b-Octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl) 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

602.433510336 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3alpha-[(E)-3-(3-Methoxy-4-hydroxyphenyl)acryloyloxy]-14,15-didehydrotaraxerane

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3R,4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3S,4aR,6aR,6aS,8aR,12aR,14aR,14bS)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

3alpha-[(Z)-3-(3-Methoxy-4-hydroxyphenyl)acryloyloxy]-14,15-didehydrotaraxerane

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3R,4aR,6aR,6aS,8aR,12aR,14aR,14bS)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from InChI

3beta-[(E)-3-(3-Methoxy-4-hydroxyphenyl)acryloyloxy]-14,15-didehydrotaraxerane

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₀H₅₈O₄

0 references

canonical SMILES

O=C(OC1CCC2(C)C3CCC4(C(=CCC5(C)CCC(C)(C)CC45)C3(C)CCC2C1(C)C)C)C=CC6=CC=C(O)C(OC)=C6

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isomeric SMILES

COc1cc(/C=C\C(=O)O[C@H]2CC[C@]3(C)[C@@H](CC[C@@]4(C)C5=CC[C@@]6(C)CCC(C)(C)C[C@H]6[C@]5(C)CC[C@H]34)C2(C)C)ccc1O

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found in taxon

Bruguiera cylindrica

1 reference

stated in

Pentacyclic triterpenoid esters from the fruits of Bruguiera cylindrica

Identifiers

InChI

InChI=1S/C40H58O4/c1-35(2)22-23-37(5)18-14-30-39(7)19-15-29-36(3,4)33(44-34(42)13-11-26-10-12-27(41)28(24-26)43-9)17-21-38(29,6)31(39)16-20-40(30,8)32(37)25-35/h10-14,24,29,31-33,41H,15-23,25H2,1-9H3/b13-11-/t29-,31+,32+,33-,37-,38+,39-,40+/m0/s1

0 references

InChIKey

HKZGZNSIWGBZTM-NYPDAYKXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HKZGZNSIWGBZTM-NYPDAYKXSA-N

(Q105030035)

[(3S,4aR,6aR,6aS,8aR,12aR,14aR,14bS)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

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