(Q105013575)

English

(2S)-2-[(1R,3aR,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bS)-9-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-1-yl]propane-1,2-diol

chemical compound

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instance of

type of chemical entity

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subclass of

2-(9-Hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-1-yl)propane-1,2-diol

1 reference

based on heuristic

inferred from SMILES

mass

460.391645524 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₂O₃

0 references

canonical SMILES

OCC(O)(C)C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12

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isomeric SMILES

CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@H]([C@](C)(O)CO)CC[C@]3(C)CC[C@]21C

0 references

found in taxon

Boswellia sacra

1 reference

stated in

Absolute stereostructures of olibanumols A, B, C, H, I, and J from olibanum, gum-resin of Boswellia carterii, and inhibitors of nitric oxide production in lipopolysaccharide-activated mouse peritoneal macrophages

Identifiers

InChI

InChI=1S/C30H52O3/c1-25(2)21-11-15-29(6)22(27(21,4)14-12-23(25)32)9-8-19-24-20(30(7,33)18-31)10-13-26(24,3)16-17-28(19,29)5/h19-24,31-33H,8-18H2,1-7H3/t19-,20-,21+,22-,23-,24+,26-,27+,28-,29-,30-/m1/s1

0 references

InChIKey

GOASBXPFRRKRON-SBZHYFMGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GOASBXPFRRKRON-SBZHYFMGSA-N

1 reference

(Q105013575)

(2S)-2-[(1R,3aR,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bS)-9-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-1-yl]propane-1,2-diol

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Identifiers

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