(Q110176458)

English

ethyl 3-[(3S,3aR,5aR,6R,7R,9aR,9bR)-7-[(2R)-1,2-dihydroxypropan-2-yl]-3-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-6,9a,9b-trimethyl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoate

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

536.407689512 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

ethyl 3-[(3S,3aR,5aR,6R,7R,9aR,9bR)-7-[(2S)-1,2-dihydroxypropan-2-yl]-3-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-6,9a,9b-trimethyl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

ethyl 3-[(3S,3aR,5aR,6R,7R,9aR,9bR)-7-[(2S)-1,2-dihydroxypropan-2-yl]-3-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-6,9a,9b-trimethyl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoate

1 reference

based on heuristic

inferred from InChI

ethyl 3-[(3S,3aR,5aR,6R,7R,9aR,9bR)-7-[(2R)-1,2-dihydroxypropan-2-yl]-3-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-6,9a,9b-trimethyl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₅₆O₆

0 references

canonical SMILES

O=C(OCC)CCC1(C)C(CCC2(C)C1CCC3C(CCC32C)C4(OC(CC4)C(O)(C)C)C)C(O)(C)CO

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isomeric SMILES

CCOC(=O)CC[C@@]1(C)[C@H]([C@@](C)(O)CO)CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@H]([C@]3(C)CC[C@@H](C(C)(C)O)O3)CC[C@]12C

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found in taxon

Dysoxylum binectariferum

1 reference

stated in

Cytotoxic dammarane-type triterpenoids from the stem bark of Dysoxylum binecteriferum.

Dysoxylum ficiforme

1 reference

stated in

Cytotoxic dammarane-type triterpenoids from the stem bark of Dysoxylum binecteriferum.

Dysoxylum gotadhora

1 reference

stated in

Cytotoxic dammarane-type triterpenoids from the stem bark of Dysoxylum binecteriferum.

Identifiers

InChI

InChI=1S/C32H56O6/c1-9-37-26(34)15-16-28(4)23-11-10-21-22(32(8)19-14-25(38-32)27(2,3)35)12-17-29(21,5)30(23,6)18-13-24(28)31(7,36)20-33/h21-25,33,35-36H,9-20H2,1-8H3/t21-,22+,23-,24-,25+,28-,29-,30-,31+,32+/m1/s1

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InChIKey

YESAZVXWVIEDQO-KFPRFRSVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YESAZVXWVIEDQO-KFPRFRSVSA-N

1 reference

(Q110176458)

ethyl 3-[(3S,3aR,5aR,6R,7R,9aR,9bR)-7-[(2R)-1,2-dihydroxypropan-2-yl]-3-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-6,9a,9b-trimethyl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoate

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Identifiers

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