(Q105005105)

English

[(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-hydroxyphenyl)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-hydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

572.422945652 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

D-Friedoolean-14-ene-3beta-ol 3-(4-hydroxy-cis-cinnamate)

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

4-Hydroxycinnamic acid D-friedoolean-14-en-3beta-yl ester

1 reference

based on heuristic

inferred from InChIKey

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₉H₅₆O₃

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=C6

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isomeric SMILES

CC1(C)CC[C@]2(C)CC=C3[C@@](C)(CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@H](OC(=O)C=Cc5ccc(O)cc5)CC[C@@]34C)[C@@H]2C1

0 references

found in taxon

Bruguiera cylindrica

1 reference

stated in

Pentacyclic triterpenoid esters from the fruits of Bruguiera cylindrica

Identifiers

InChI

InChI=1S/C39H56O3/c1-34(2)23-24-36(5)19-15-29-38(7)20-16-28-35(3,4)32(42-33(41)14-11-26-9-12-27(40)13-10-26)18-22-37(28,6)30(38)17-21-39(29,8)31(36)25-34/h9-15,28,30-32,40H,16-25H2,1-8H3/t28-,30+,31+,32+,36-,37-,38-,39+/m0/s1

0 references

InChIKey

FZPSABBXYRSWMG-UPNWXMIISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FZPSABBXYRSWMG-UPNWXMIISA-N

(Q105005105)

[(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-hydroxyphenyl)prop-2-enoate

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