(Q105276994)

English

(3aR,4R,5E,9S,10Z,11aR)-9-[[(3S,3aR,4S,5E,9R,10Z,11aR)-4,9-dihydroxy-6,10-dimethyl-2-oxo-3a,4,7,8,9,11a-hexahydro-3H-cyclodeca[b]furan-3-yl]methyl]-4-hydroxy-6,10-dimethyl-3-methylidene-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-2-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

9-[(4,9-dihydroxy-6,10-dimethyl-2-oxo-3a,4,7,8,9,11a-hexahydro-3H-cyclodeca[b]furan-3-yl)methyl]-4-hydroxy-6,10-dimethyl-3-methylidene-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

512.27740362 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3aS,4S,5E,9R,10E,11aR)-9-[[(3R,3aS,4S,5E,9S,10E,11aR)-4,9-dihydroxy-6,10-dimethyl-2-oxo-3a,4,7,8,9,11a-hexahydro-3H-cyclodeca[b]furan-3-yl]methyl]-4-hydroxy-6,10-dimethyl-3-methylidene-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-2-one

2 references

based on heuristic

inferred from InChIKey

1 reference

C₃₀H₄₀O₇

0 references

canonical SMILES

O=C1OC2C=C(C)C(CCC(=CC(O)C2C1=C)C)CC3C(=O)OC4C=C(C)C(O)CCC(=CC(O)C43)C

0 references

isomeric SMILES

C=C1C(=O)O[C@@H]2/C=C(/C)[C@H](C[C@@H]3C(=O)O[C@@H]4/C=C(/C)[C@H](O)CC/C(C)=C/[C@H](O)[C@@H]34)CC/C(C)=C/[C@@H](O)[C@@H]12

0 references

found in taxon

Gonospermum elegans

1 reference

stated in

Sesquiterpenoid derivatives from Gonospermum elegans and their cytotoxic activity for HL-60 human promyelocytic cells.

Identifiers

InChI

InChI=1S/C30H40O7/c1-15-6-8-20(17(3)12-25-27(23(32)10-15)19(5)29(34)36-25)14-21-28-24(33)11-16(2)7-9-22(31)18(4)13-26(28)37-30(21)35/h10-13,20-28,31-33H,5-9,14H2,1-4H3/b15-10+,16-11+,17-12-,18-13-/t20-,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1

0 references

InChIKey

UPUCZQWCCLUQMO-NWZHILLVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UPUCZQWCCLUQMO-NWZHILLVSA-N

(Q105276994)

(3aR,4R,5E,9S,10Z,11aR)-9-[[(3S,3aR,4S,5E,9R,10Z,11aR)-4,9-dihydroxy-6,10-dimethyl-2-oxo-3a,4,7,8,9,11a-hexahydro-3H-cyclodeca[b]furan-3-yl]methyl]-4-hydroxy-6,10-dimethyl-3-methylidene-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-2-one

Statements

Identifiers

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