(Q105352814)

English

(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(1R)-1-hydroxy-5-methoxy-5-methylhexyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol

chemical compound

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instance of

type of chemical entity

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subclass of

17-(1-hydroxy-5-methoxy-5-methylhexyl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol

1 reference

based on heuristic

inferred from SMILES

mass

494.397124828 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₄O₅

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canonical SMILES

OC(CCCC(OC)(C)C)C1CCC2(C)C1C(O)CC3C4(C)CCC(O)C(C)(C)C4C(O)CC32C

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isomeric SMILES

COC(C)(C)CCC[C@@H](O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C

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found in taxon

Panax ginseng

1 reference

stated in

Novel dammarane-type sapogenins from Panax ginseng berry and their biological activities

Identifiers

InChI

InChI=1S/C30H54O5/c1-26(2,35-8)13-9-10-19(31)18-11-15-29(6)24(18)20(32)16-22-28(5)14-12-23(34)27(3,4)25(28)21(33)17-30(22,29)7/h18-25,31-34H,9-17H2,1-8H3/t18-,19-,20-,21+,22-,23+,24+,25+,28-,29-,30-/m1/s1

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InChIKey

YRJCMCBXAVZZTO-HDFOMQQSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YRJCMCBXAVZZTO-HDFOMQQSSA-N

1 reference

(Q105352814)

(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(1R)-1-hydroxy-5-methoxy-5-methylhexyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol

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