(Q110165711)

English

(E,5S,6S)-6-[(3R,3aR,6R,7R,9bR)-6-(acetyloxymethyl)-7-(2-hydroxypropan-2-yl)-6-(3-methoxy-3-oxopropyl)-3a,9b-dimethyl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-5-acetyloxy-2-methylhept-2-enoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5-Acetyloxy-6-[6-(acetyloxymethyl)-7-(2-hydroxypropan-2-yl)-6-(3-methoxy-3-oxopropyl)-3a,9b-dimethyl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

616.361133244 dalton

1 reference

1 reference

C₃₅H₅₂O₉

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canonical SMILES

O=C(O)C(=CCC(OC(=O)C)C(C)C1CCC2(C3=CCC(C(O)(C)C)C(C3=CCC12C)(COC(=O)C)CCC(=O)OC)C)C

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isomeric SMILES

COC(=O)CC[C@]1(COC(C)=O)C2=CC[C@]3(C)[C@@H]([C@H](C)[C@H](C/C=C(\C)C(=O)O)OC(C)=O)CC[C@@]3(C)C2=CC[C@H]1C(C)(C)O

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found in taxon

Ganoderma colossus

1 reference

stated in

Anti-HIV-1 protease activity of lanostane triterpenes from the vietnamese mushroom Ganoderma colossum

Tomophagus colossus

1 reference

stated in

Anti-HIV-1 protease activity of lanostane triterpenes from the vietnamese mushroom Ganoderma colossum

Identifiers

InChI

InChI=1S/C35H52O9/c1-21(31(39)40)10-12-28(44-24(4)37)22(2)25-14-17-34(8)26-11-13-29(32(5,6)41)35(20-43-23(3)36,19-16-30(38)42-9)27(26)15-18-33(25,34)7/h10-11,15,22,25,28-29,41H,12-14,16-20H2,1-9H3,(H,39,40)/b21-10+/t22-,25+,28-,29-,33+,34-,35-/m0/s1

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InChIKey

IQKAWHUEZWYQHM-ZXMPGLORSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IQKAWHUEZWYQHM-ZXMPGLORSA-N

1 reference

(Q110165711)

(E,5S,6S)-6-[(3R,3aR,6R,7R,9bR)-6-(acetyloxymethyl)-7-(2-hydroxypropan-2-yl)-6-(3-methoxy-3-oxopropyl)-3a,9b-dimethyl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-5-acetyloxy-2-methylhept-2-enoic acid

Statements

Identifiers

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