(Q105149678)

English

(5R,8R,9R,10R,13R,14R,17S)-17-[(2S,5R)-5-[(2S)-1,2-dihydroxypropan-2-yl]-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

20,24-Epoxy-25,26-dihydroxydammaran-3-one

1 reference

based on heuristic

inferred from SMILES

mass

474.37091008 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O₄

0 references

canonical SMILES

O=C1CCC2(C)C(CCC3(C)C2CCC4C(CCC43C)C5(OC(CC5)C(O)(C)CO)C)C1(C)C

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isomeric SMILES

CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]([C@]3(C)CC[C@H]([C@@](C)(O)CO)O3)CC[C@]21C

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found in taxon

Mangifera indica

1 reference

stated in

3-oxo-20S,24R-epoxy-dammarane-25ξ,26-diol from Mangifera indica

Identifiers

InChI

InChI=1S/C30H50O4/c1-25(2)21-11-16-28(5)22(26(21,3)14-12-23(25)32)9-8-19-20(10-15-27(19,28)4)30(7)17-13-24(34-30)29(6,33)18-31/h19-22,24,31,33H,8-18H2,1-7H3/t19-,20+,21+,22-,24-,26+,27-,28-,29+,30+/m1/s1

0 references

InChIKey

LBWOQWCMNAJNNC-MZKSHMHJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LBWOQWCMNAJNNC-MZKSHMHJSA-N

(Q105149678)

(5R,8R,9R,10R,13R,14R,17S)-17-[(2S,5R)-5-[(2S)-1,2-dihydroxypropan-2-yl]-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Statements

Identifiers

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