(Q110176496)

English

(8S,9S,10S,13R,14S,17R)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-10-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

chemical compound

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instance of

type of chemical entity

0 references

1 reference

562.386954068 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₅₄O₇

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canonical SMILES

O=C1C=C2CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(COC5OC(CO)C(O)C(O)C5O)CC1

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isomeric SMILES

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3CC[C@@]21C

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found in taxon

Peyssonnelia

1 reference

stated in

Structure and biological evaluation of novel cytotoxic sterol glycosides from the marine red alga Peyssonnelia sp.

Identifiers

InChI

InChI=1S/C33H54O7/c1-19(2)6-5-7-20(3)24-10-11-25-23-9-8-21-16-22(35)12-15-33(21,26(23)13-14-32(24,25)4)18-39-31-30(38)29(37)28(36)27(17-34)40-31/h16,19-20,23-31,34,36-38H,5-15,17-18H2,1-4H3/t20-,23+,24-,25+,26+,27-,28-,29+,30-,31-,32-,33-/m1/s1

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InChIKey

HJVYGTMGBJFYMW-NMVNXMJCSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q110176496)

(8S,9S,10S,13R,14S,17R)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-10-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

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Identifiers

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