(Q105134013)

English

(2R,3R,4S,5R,6R)-4-[[(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-6-(hydroxymethyl)oxane-2,3,5-triol

chemical compound

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instance of

type of chemical entity

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subclass of

4-[(4,4,6a,6b,8a,11,11,14b-Octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-6-(hydroxymethyl)oxane-2,3,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

588.43898964 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,3R,4S,5R,6R)-4-[[(3R,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-6-(hydroxymethyl)oxane-2,3,5-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₆H₆₀O₆

0 references

canonical SMILES

OCC1OC(O)C(O)C(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CCC6(C)CCC54C)C2(C)C)C1O

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isomeric SMILES

CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6[C@@H](O)[C@H](O)O[C@H](CO)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1

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found in taxon

Iresine diffusa

1 reference

stated in

1H and 13C assignments of three new drimenes from Iresine diffusa Humb. & Bonpl. ex Willd

Identifiers

InChI

InChI=1S/C36H60O6/c1-31(2)15-16-33(5)17-18-35(7)21(22(33)19-31)9-10-25-34(6)13-12-26(32(3,4)24(34)11-14-36(25,35)8)42-29-27(38)23(20-37)41-30(40)28(29)39/h9,22-30,37-40H,10-20H2,1-8H3/t22-,23+,24-,25+,26-,27+,28+,29-,30+,33+,34-,35+,36+/m0/s1

0 references

InChIKey

JROFKRSLRUPWMF-GDIOXGBISA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105134013)

(2R,3R,4S,5R,6R)-4-[[(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-6-(hydroxymethyl)oxane-2,3,5-triol

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