(Q105231024)

English

[(2S,4aS,4bR,7S,8S,8aR,10aR)-4',5'-diacetyloxy-1,1,4a,7,7',8a-hexamethylspiro[2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-8,2'-3H-1-benzofuran]-2-yl] acetate

chemical compound

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type of chemical entity

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subclass of

(4',5'-diacetyloxy-1,1,4a,7,7',8a-hexamethylspiro[2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-8,2'-3H-1-benzofuran]-2-yl) acetate

1 reference

based on heuristic

inferred from SMILES

(2S,2'S,4'aR,4'bS,7'S,8'aR)-4,5-bis(acetyloxy)-2',4'b,7,8',8',10'a-hexamethyl-2',3',4',4'a,5',6',7',8'a,9',10'-decahydro-3H-spiro[1-benzofuran-2,1'-phenanthren]-7'-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

554.324353812 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₄₆O₇

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canonical SMILES

O=C(OC=1C=C(C=2OC3(CC2C1OC(=O)C)C(C)CCC4C5(C)CCC(OC(=O)C)C(C)(C)C5CCC43C)C)C

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isomeric SMILES

CC(=O)Oc1cc(C)c2c(c1OC(C)=O)C[C@]1(O2)[C@@H](C)CC[C@@H]2[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@]21C

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found in taxon

Stypopodium flabelliforme

6 references

stated in

An unusual halogenated meroditerpenoid from Stypopodium flabelliforme: studies by NMR spectroscopic and computational methods

stated in

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

stated in

An unusual halogenated meroditerpenoid from Stypopodium flabelliforme: studies by NMR spectroscopic and computational methods

stated in

An unusual halogenated meroditerpenoid from Stypopodium flabelliforme: studies by NMR spectroscopic and computational methods

stated in

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

stated in

Isoepitaondiol, a diterpenoid of Stypopodium flabelliforme and the insecticidal activity of stypotriol, epitaondiol and derivatives

Identifiers

InChI

InChI=1S/C33H46O7/c1-18-16-24(37-20(3)34)29(39-22(5)36)23-17-33(40-28(18)23)19(2)10-11-26-31(8)14-13-27(38-21(4)35)30(6,7)25(31)12-15-32(26,33)9/h16,19,25-27H,10-15,17H2,1-9H3/t19-,25-,26+,27-,31-,32+,33-/m0/s1

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InChIKey

QYWYPTRFMCEXQU-XGNZJLIISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QYWYPTRFMCEXQU-XGNZJLIISA-N

1 reference

(Q105231024)

[(2S,4aS,4bR,7S,8S,8aR,10aR)-4',5'-diacetyloxy-1,1,4a,7,7',8a-hexamethylspiro[2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-8,2'-3H-1-benzofuran]-2-yl] acetate

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