(Q105206832)

English

(2S,3R,4S,5S,6R)-2-[2-[(1R,3aS,4S,5Z,9R,12aS)-4,9-dihydroxy-6-(hydroxymethyl)-3a-methyl-10-methylidene-1,2,3,4,7,8,9,11,12,12a-decahydrocyclopenta[11]annulen-1-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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instance of

type of chemical entity

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subclass of

2-[2-[4,9-Dihydroxy-6-(hydroxymethyl)-3a-methyl-10-methylidene-1,2,3,4,7,8,9,11,12,12a-decahydrocyclopenta[11]annulen-1-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

500.298532988 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₄₄O₉

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canonical SMILES

OCC1=CC(O)C2(C)CCC(C2CCC(=C)C(O)CC1)C(OC3OC(CO)C(O)C(O)C3O)(C)C

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isomeric SMILES

C=C1CC[C@H]2[C@H](C(C)(C)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]2(C)[C@@H](O)/C=C(\CO)CC[C@H]1O

0 references

found in taxon

Chrozophora plicata

1 reference

stated in

Dolabellane diterpene glucosides from Chrozophora obliqua

Identifiers

InChI

InChI=1S/C26H44O9/c1-14-5-7-17-16(9-10-26(17,4)20(30)11-15(12-27)6-8-18(14)29)25(2,3)35-24-23(33)22(32)21(31)19(13-28)34-24/h11,16-24,27-33H,1,5-10,12-13H2,2-4H3/b15-11-/t16-,17+,18-,19-,20+,21-,22+,23-,24+,26+/m1/s1

0 references

InChIKey

PDZDVKHEIGCULG-BIJOSBRXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PDZDVKHEIGCULG-BIJOSBRXSA-N

(Q105206832)

(2S,3R,4S,5S,6R)-2-[2-[(1R,3aS,4S,5Z,9R,12aS)-4,9-dihydroxy-6-(hydroxymethyl)-3a-methyl-10-methylidene-1,2,3,4,7,8,9,11,12,12a-decahydrocyclopenta[11]annulen-1-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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