(Q105299063)

English

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

chemical compound

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instance of

type of chemical entity

0 references

1 reference

460.391645524 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

hopane-6beta,7beta,22-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₂O₃

0 references

canonical SMILES

OC1C(O)C2(C)C(CCC3C4(C)CCC(C4CCC32C)C(O)(C)C)C5(C)CCCC(C)(C)C15

0 references

isomeric SMILES

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

0 references

found in taxon

Nephroma laevigatum

1 reference

stated in

Nephrin: Structure and occurrence in Nephroma species

Identifiers

InChI

InChI=1S/C30H52O3/c1-25(2)14-9-15-28(6)21-11-10-20-27(5)16-12-18(26(3,4)33)19(27)13-17-29(20,7)30(21,8)24(32)22(31)23(25)28/h18-24,31-33H,9-17H2,1-8H3/t18-,19-,20+,21+,22+,23+,24-,27-,28+,29+,30-/m0/s1

0 references

InChIKey

VYLJAYXZTOTZRR-UQEAZHMTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VYLJAYXZTOTZRR-UQEAZHMTSA-N

(Q105299063)

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

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