(Q105360355)

English

[(1S,2R,3R,5R,7R,10S,11R,14R,15S)-3-acetyloxy-15-[(3R,5R,6R)-5-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-2,6,6,10-tetramethyl-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] benzoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[3-Acetyloxy-15-[5-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-2,6,6,10-tetramethyl-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] benzoate

1 reference

based on heuristic

inferred from SMILES

mass

636.402604132 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₅₆O₇

0 references

canonical SMILES

O=C(OC1CCC2(C)C3CCC45CC5(CCC4C6COC(C(O)C6)C(O)(C)C)C3(C)C(OC(=O)C)CC2C1(C)C)C=7C=CC=CC7

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isomeric SMILES

CC(=O)O[C@@H]1C[C@H]2C(C)(C)[C@H](OC(=O)c3ccccc3)CC[C@]2(C)[C@H]2CC[C@]34C[C@]3(CC[C@H]4[C@@H]3CO[C@@H](C(C)(C)O)[C@H](O)C3)[C@]12C

0 references

found in taxon

Dysoxylum mollissimum

1 reference

stated in

Glabretal triterpenoids from Dysoxylum muelleri

Identifiers

InChI

InChI=1S/C39H56O7/c1-23(40)45-31-20-29-34(2,3)30(46-33(42)24-11-9-8-10-12-24)15-16-36(29,6)28-14-17-38-22-39(38,37(28,31)7)18-13-26(38)25-19-27(41)32(44-21-25)35(4,5)43/h8-12,25-32,41,43H,13-22H2,1-7H3/t25-,26-,27+,28+,29-,30+,31+,32+,36+,37-,38+,39+/m0/s1

0 references

InChIKey

YSOJEYSXCFBORN-HMLLXDCMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YSOJEYSXCFBORN-HMLLXDCMSA-N

(Q105360355)

[(1S,2R,3R,5R,7R,10S,11R,14R,15S)-3-acetyloxy-15-[(3R,5R,6R)-5-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-2,6,6,10-tetramethyl-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] benzoate

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Identifiers

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