(Q105130413)

English

(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2E)-6-methylhepta-2,5-dien-2-yl]-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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Statements

instance of

type of chemical entity

0 references

subclass of

protostane/dammarane triterpenoid

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mass

458.37599546 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O₃

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canonical SMILES

OC1CC2C3(C)CCC(O)C(C)(C)C3C(O)CC2(C)C4(C)CCC(C(=CCC=C(C)C)C)C14

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isomeric SMILES

CC(C)=CC/C=C(\C)[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

2 references

stated in

Dammarane triterpenes as potential SIRT1 activators from the leaves of Panax ginseng

stated in

New SIRT1 activator from alkaline hydrolysate of total saponins in the stems-leaves of Panax ginseng

Identifiers

InChI

InChI=1S/C30H50O3/c1-18(2)10-9-11-19(3)20-12-15-29(7)25(20)21(31)16-23-28(6)14-13-24(33)27(4,5)26(28)22(32)17-30(23,29)8/h10-11,20-26,31-33H,9,12-17H2,1-8H3/b19-11+/t20-,21-,22+,23-,24+,25+,26+,28-,29-,30-/m1/s1

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InChIKey

JKPOYAJYRYOGBN-DUVBXBALSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105130413)

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

Statements

Identifiers

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