(Q105028564)

English

(1S,3R,8S,9S,10R,11R,13S,14S,17R)-13-(hydroxymethyl)-10-methyl-17-[(1R)-1-[(1S,2R)-2-methyl-2-[(2R)-3-methylbutan-2-yl]cyclopropyl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3,11-triol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

13-(hydroxymethyl)-10-methyl-17-[1-[2-methyl-2-(3-methylbutan-2-yl)cyclopropyl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3,11-triol

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

OCC12CC(O)C3C(CC=C4CC(O)CC(O)C43C)C2CCC1C(C)C5CC5(C)C(C)C(C)C

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isomeric SMILES

CC(C)[C@@H](C)[C@@]1(C)C[C@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3[C@H](O)C[C@@]21CO

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found in taxon

Sinularia dissecta

1 reference

stated in

5,8-Epidioxysterols and related derivatives from a Chinese soft coral Sinularia flexibilis

Identifiers

InChI

InChI=1S/C30H50O4/c1-16(2)18(4)28(5)13-24(28)17(3)22-9-10-23-21-8-7-19-11-20(32)12-26(34)29(19,6)27(21)25(33)14-30(22,23)15-31/h7,16-18,20-27,31-34H,8-15H2,1-6H3/t17-,18+,20+,21-,22+,23-,24-,25+,26-,27+,28+,29+,30-/m0/s1

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InChIKey

HHTCBMYCYFBNGN-OVOLJOFFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HHTCBMYCYFBNGN-OVOLJOFFSA-N

1 reference

(Q105028564)

(1S,3R,8S,9S,10R,11R,13S,14S,17R)-13-(hydroxymethyl)-10-methyl-17-[(1R)-1-[(1S,2R)-2-methyl-2-[(2R)-3-methylbutan-2-yl]cyclopropyl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3,11-triol

Statements

Identifiers

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