(Q105237210)

English

(3S,5S,6R,9R,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,2R)-5-methylhex-3-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

10,13-dimethyl-17-(5-methylhex-3-en-2-yl)-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol

1 reference

based on heuristic

inferred from SMILES

mass

386.318480584 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₄₂O₂

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canonical SMILES

OC1C=C2C3CCC(C(C=CC(C)C)C)C3(C)CCC2C4(C)CCC(O)CC14

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isomeric SMILES

CC(C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C

0 references

found in taxon

Dendronephthya gigantea

1 reference

stated in

Polyhydroxylated sterols from the octocoral Dendronephthya gigantea

Identifiers

InChI

InChI=1S/C26H42O2/c1-16(2)6-7-17(3)20-8-9-21-19-15-24(28)23-14-18(27)10-12-26(23,5)22(19)11-13-25(20,21)4/h6-7,15-18,20-24,27-28H,8-14H2,1-5H3/b7-6+/t17-,18+,20-,21+,22+,23-,24-,25-,26-/m1/s1

0 references

InChIKey

RIWBQNHUVYKGFB-WNLKHLONSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RIWBQNHUVYKGFB-WNLKHLONSA-N

(Q105237210)

(3S,5S,6R,9R,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,2R)-5-methylhex-3-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol

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Identifiers

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