(Q105036108)

English

(1S)-1-[(2R,3R)-3-[(1R)-1-[(3S,5R,9S,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]oxiran-2-yl]-2-methylpropane-1,2-diol

chemical compound

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instance of

type of chemical entity

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subclass of

1-[3-[1-(3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl]oxiran-2-yl]-2-methylpropane-1,2-diol

1 reference

based on heuristic

inferred from SMILES

mass

474.37091008 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S)-1-[(2R,3R)-3-[(1R)-1-[(3S,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]oxiran-2-yl]-2-methylpropane-1,2-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₀O₄

0 references

canonical SMILES

OC1CCC2(C)C3C(=CCC2C1(C)C)C4(C)CCC(C(C)C5OC5C(O)C(O)(C)C)C4(C)CC3

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isomeric SMILES

C[C@H]([C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C)[C@H]1O[C@@H]1[C@H](O)C(C)(C)O

0 references

found in taxon

Dysoxylum mollissimum

1 reference

stated in

Tirucallane triterpenoids from Dysoxylum hainanense

Identifiers

InChI

InChI=1S/C30H50O4/c1-17(23-24(34-23)25(32)27(4,5)33)18-11-15-30(8)20-9-10-21-26(2,3)22(31)13-14-28(21,6)19(20)12-16-29(18,30)7/h9,17-19,21-25,31-33H,10-16H2,1-8H3/t17-,18+,19-,21+,22+,23-,24+,25+,28-,29+,30-/m1/s1

0 references

InChIKey

IAGTZTQYAGDHBI-UDHLWHNKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IAGTZTQYAGDHBI-UDHLWHNKSA-N

(Q105036108)

(1S)-1-[(2R,3R)-3-[(1R)-1-[(3S,5R,9S,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]oxiran-2-yl]-2-methylpropane-1,2-diol

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Identifiers

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