(Q104914739)

English

(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(1S)-1,5-dimethoxy-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-3,12-diol

chemical compound

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instance of

type of chemical entity

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subclass of

17-(1,5-dimethoxy-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-3,12-diol

1 reference

based on heuristic

inferred from SMILES

mass

492.417860272 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₆O₄

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canonical SMILES

OC1CC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C4(C)CCC(C(OC)CCCC(OC)(C)C)C14

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isomeric SMILES

CO[C@@H](CCCC(C)(C)OC)[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]3CC[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/C31H56O4/c1-27(2,35-9)15-10-11-22(34-8)20-12-17-31(7)26(20)21(32)19-24-29(5)16-14-25(33)28(3,4)23(29)13-18-30(24,31)6/h20-26,32-33H,10-19H2,1-9H3/t20-,21-,22+,23+,24-,25+,26+,29+,30-,31-/m1/s1

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InChIKey

AMMYVOPRVWBAML-MCFMUOFQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AMMYVOPRVWBAML-MCFMUOFQSA-N

(Q104914739)

(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(1S)-1,5-dimethoxy-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-3,12-diol

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Identifiers

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