(Q110177644)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

stigmastan-type steroid

1 reference

based on heuristic

inferred from SMILES

mass

460.355260016 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₈O₄

0 references

canonical SMILES

OC1C=C2C3CCC(C(C=CC(CC)C(C)C)C)C3(C)CCC2(O)C4(C)CCC(O)CC14O

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isomeric SMILES

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

0 references

found in taxon

Homaxinella

1 reference

stated in

5,6:8,9-diepoxy and other cytotoxic sterols from the marine sponge Homaxinella sp

Identifiers

InChI

InChI=1S/C29H48O4/c1-7-20(18(2)3)9-8-19(4)22-10-11-23-24-16-25(31)29(33)17-21(30)12-13-27(29,6)28(24,32)15-14-26(22,23)5/h8-9,16,18-23,25,30-33H,7,10-15,17H2,1-6H3/b9-8+/t19-,20+,21+,22-,23+,25-,26-,27-,28-,29+/m1/s1

0 references

InChIKey

NDOKWZQNNLRVLS-RRAGNSSVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NDOKWZQNNLRVLS-RRAGNSSVSA-N

1 reference

(Q110177644)

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

Statements

Identifiers

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