(Q105193262)

English

[(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6,14-trihydroxy-4,12,12,15-tetramethyl-5-oxo-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl octadec-9-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

tigliane diterpenoid

0 references

mass

670.444468944 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3aR)-2,10beta,11,11-Tetramethyl-3-oxo-3aalpha,9alpha,10abeta-trihydroxy-5-(oleoyloxy)methyl-8beta-(acetyloxy)-7,8-methano-3,3a,4,6aalpha,7beta,8,9,10,10a,10bbeta-decahydrobenzo[e]azulene

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₄₀H₆₂O₈

0 references

canonical SMILES

O=C(OC12C(O)C(C)C3(O)C(C=C(COC(=O)CCCCCCCC=CCCCCCCCC)CC4(O)C(=O)C(=CC43)C)C1C2(C)C)C

0 references

isomeric SMILES

CCCCCCCCC=CCCCCCCCC(=O)OCC1=C[C@H]2[C@@H]3C(C)(C)[C@]3(OC(C)=O)[C@H](O)[C@@H](C)[C@]2(O)[C@@H]2C=C(C)C(=O)[C@@]2(O)C1

0 references

found in taxon

Croton tiglium

1 reference

stated in

Cytotoxic phorbol esters of Croton tiglium

Identifiers

InChI

InChI=1S/C40H62O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-33(42)47-26-30-24-31-34-37(5,6)40(34,48-29(4)41)36(44)28(3)39(31,46)32-23-27(2)35(43)38(32,45)25-30/h14-15,23-24,28,31-32,34,36,44-46H,7-13,16-22,25-26H2,1-6H3/t28-,31+,32-,34-,36-,38-,39-,40-/m1/s1

0 references

InChIKey

OJSQLQBNCVDSFR-KRRHNCDNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OJSQLQBNCVDSFR-KRRHNCDNSA-N

(Q105193262)

[(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6,14-trihydroxy-4,12,12,15-tetramethyl-5-oxo-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl octadec-9-enoate

Statements

Identifiers

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