(Q105329723)

English

[(1R,2S,11S,14S,15R,18S,20R)-6-hydroxy-1,8,11,15,19,19-hexamethyl-10-oxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),5,7-trien-18-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

isocopalane diterpenoid

0 references

mass

454.308309824 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2S,11S,14S,15R,18S,20R)-6-hydroxy-1,8,11,15,19,19-hexamethyl-10-oxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),5,7-trien-18-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₂O₄

0 references

canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C4CC=5C=C(O)C=C(C5OC4(C)CCC32)C)C1(C)C)C

0 references

isomeric SMILES

CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)Oc5c(C)cc(O)cc5C[C@H]4[C@]3(C)CC[C@H]2C1(C)C

0 references

found in taxon

Stypopodium flabelliforme

1 reference

stated in

Anti-proliferative activity of meroditerpenoids isolated from the brown alga Stypopodium flabelliforme against several cancer cell lines.

Identifiers

InChI

InChI=1S/C29H42O4/c1-17-14-20(31)15-19-16-23-28(6)11-8-21-26(3,4)24(32-18(2)30)10-12-27(21,5)22(28)9-13-29(23,7)33-25(17)19/h14-15,21-24,31H,8-13,16H2,1-7H3/t21-,22-,23-,24-,27-,28+,29-/m0/s1

0 references

InChIKey

XKVBAMSBWAVUFF-YZAHESNCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XKVBAMSBWAVUFF-YZAHESNCSA-N

(Q105329723)

[(1R,2S,11S,14S,15R,18S,20R)-6-hydroxy-1,8,11,15,19,19-hexamethyl-10-oxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),5,7-trien-18-yl] acetate

Statements

Identifiers

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