(Q105314406)

English

(1aS,2aR,5R,5aR,7R,7aR)-1a-[2-[(3R,5aR,6R,7S,9aR)-3,7-dihydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]ethyl]-2,2,5,7a-tetramethyl-2a,3,4,5a,6,7-hexahydroazuleno[5,6-b]oxirene-5,7-diol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

1a-[2-(3,7-dihydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl)ethyl]-2,2,5,7a-tetramethyl-2a,3,4,5a,6,7-hexahydroazuleno[5,6-b]oxirene-5,7-diol

1 reference

1 reference

508.376389384 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₂O₆

0 references

canonical SMILES

OC1CCC2(C)C(OC1(C)C)CCC(O)(C)C2CCC34OC4(C)C(O)CC5C(CCC5(O)C)C3(C)C

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isomeric SMILES

CC1(C)O[C@@H]2CC[C@](C)(O)[C@H](CC[C@@]34O[C@]3(C)[C@H](O)C[C@@H]3[C@@H](CC[C@@]3(C)O)C4(C)C)[C@@]2(C)CC[C@H]1O

0 references

found in taxon

Callyspongia siphonella

1 reference

stated in

Callyspongamide A, a new cytotoxic polyacetylenic amide from the Red Sea sponge Callyspongia fistularis

Identifiers

InChI

InChI=1S/C30H52O6/c1-24(2)18-9-14-27(6,33)19(18)17-22(32)29(8)30(24,36-29)16-10-20-26(5)13-11-21(31)25(3,4)35-23(26)12-15-28(20,7)34/h18-23,31-34H,9-17H2,1-8H3/t18-,19-,20-,21-,22-,23-,26-,27-,28+,29-,30+/m1/s1

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InChIKey

WWWZOBMNBOEYTA-VFBDFASRSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105314406)

(1aS,2aR,5R,5aR,7R,7aR)-1a-[2-[(3R,5aR,6R,7S,9aR)-3,7-dihydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]ethyl]-2,2,5,7a-tetramethyl-2a,3,4,5a,6,7-hexahydroazuleno[5,6-b]oxirene-5,7-diol

Statements

Identifiers

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