(Q105024631)

English

methyl (1S,6R,9S,10R,12R,15S,18R,19S,26S,27S,30S)-6,9,12,15,18,23,27,32-octamethyl-30-prop-1-en-2-yl-2,25-dioxaoctacyclo[24.5.3.01,26.03,24.05,22.06,19.09,18.010,15]tetratriaconta-3(24),4,20,22,32-pentaene-12-carboxylate

chemical compound

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instance of

type of chemical entity

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1 reference

1 reference

Methyl 6,9,12,15,18,23,27,32-octamethyl-30-prop-1-en-2-yl-2,25-dioxaoctacyclo[24.5.3.01,26.03,24.05,22.06,19.09,18.010,15]tetratriaconta-3(24),4,20,22,32-pentaene-12-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

666.464810464 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (1R,6R,9S,10R,12R,15S,18R,19S,26R,27S,30R)-6,9,12,15,18,23,27,32-octamethyl-30-prop-1-en-2-yl-2,25-dioxaoctacyclo[24.5.3.01,26.03,24.05,22.06,19.09,18.010,15]tetratriaconta-3(24),4,20,22,32-pentaene-12-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₄₅H₆₂O₄

0 references

canonical SMILES

O=C(OC)C1(C)CCC2(C)CCC3(C)C4C=CC=5C(=C6OC78CC=C(C)C8(OC6=CC5C4(C)CCC3(C)C2C1)CC(C(=C)C)CCC7C)C

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isomeric SMILES

C=C(C)[C@H]1CC[C@H](C)[C@@]23CC=C(C)[C@]2(C1)Oc1cc2c(c(C)c1O3)C=C[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)OC)CC[C@]3(C)CC[C@]12C

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found in taxon

Monteverdia retusa

1 reference

stated in

Cytotoxic triterpenoids from Maytenus retusa

Identifiers

InChI

InChI=1S/C45H62O4/c1-27(2)31-13-12-28(3)44-17-16-29(4)45(44,25-31)48-34-24-33-32(30(5)37(34)49-44)14-15-35-41(33,8)21-23-43(10)36-26-40(7,38(46)47-11)19-18-39(36,6)20-22-42(35,43)9/h14-16,24,28,31,35-36H,1,12-13,17-23,25-26H2,2-11H3/t28-,31-,35+,36+,39+,40+,41-,42+,43-,44-,45-/m0/s1

0 references

InChIKey

GZUMIASHHVEXKZ-FYCVIYDTSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105024631)

methyl (1S,6R,9S,10R,12R,15S,18R,19S,26S,27S,30S)-6,9,12,15,18,23,27,32-octamethyl-30-prop-1-en-2-yl-2,25-dioxaoctacyclo[24.5.3.01,26.03,24.05,22.06,19.09,18.010,15]tetratriaconta-3(24),4,20,22,32-pentaene-12-carboxylate

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