(Q104980755)

English

[(3S,6R)-2,3-dimethyl-6-[(3R,5S,6R,8S,9R,10S,13R,14S,17R)-3,6,9-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]heptan-2-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

ergostane steroid

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mass

492.381474764 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₂O₅

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canonical SMILES

O=C(OC(C)(C)C(C)CCC(C)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3(O)CCC12C)C

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isomeric SMILES

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

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found in taxon

Sarcophyton tortuosum

1 reference

stated in

24xi-Methyl 5 alpha-cholestane-3 alpha,6 beta,9 alpha,25-tetrol 24-monoacetate, a novel polyhydroxylated steroid from the soft coral Sarcophyton tortuosum

Identifiers

InChI

InChI=1S/C30H52O5/c1-18(8-9-19(2)27(4,5)35-20(3)31)22-10-11-23-24-17-26(33)25-16-21(32)12-13-29(25,7)30(24,34)15-14-28(22,23)6/h18-19,21-26,32-34H,8-17H2,1-7H3/t18-,19+,21-,22-,23+,24+,25-,26-,28-,29+,30-/m1/s1

0 references

InChIKey

DHQPGHFKCMJXKL-VKVCMJIOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DHQPGHFKCMJXKL-VKVCMJIOSA-N

(Q104980755)

[(3S,6R)-2,3-dimethyl-6-[(3R,5S,6R,8S,9R,10S,13R,14S,17R)-3,6,9-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]heptan-2-yl] acetate

Statements

Identifiers

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